C13h13no5 1h-pyrano [3,4-f] indolizine-3,6,10 (4hrione-7,8-dihydroxy-, (4cI, aci) H319, H302
Nga taonga tinana matua | Wāriu | Āhuatanga |
Taumaha Momo | 263.25 | - |
Rewa te wāhi (whakamātautau) | 177.1-178.3 ° C | - |
Kohua (tohu) | 666.6 ± 55.0 ° C | Press: 760 Torr |
Te mutunga (tohua) | 1.50 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr |
PK (tohua) | 11.20 ± 0.20 | Te nuinga o te Opeware: 25 ° C |
SMILSICAL CLAMES O = C1C2 = C (c = c3c (= O) CCN13) C (O) (C (= O) OC2) CC
Ataata isomeric c (c) [c @] 1 (o) c2 = c (c (c (c2) cc3) coc1 = O
Hapani
Inchi = 1S / C13H13NO5 / C1-1-13 (18) 8-5-9-10 (15) 3 (16) 6 (8) 6 (8) 6 / H5H2,18 / T13- / M0 / S1
Inchi Key
Igkwogmvoyvsj-zdusscgksa-n
5 etahi atu ingoa mo tenei taonga
(4s) -4-ethyl-7,8-dihydrodro-4-hydroxy-1h-pydrano [3,4-f] indolizine-3,6,10 (4hrione (aci); 1H-Pyrano [3,4-f] Indolizine-3,6,10 (4h) -Trione, 4- Ethyl-7,8-dihydroxy-, (zci); (4s) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) Trione; (4s) -4-ethyl-4-
Hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10-trione; (S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione
Nga Taonga e waatea ana |
Whatu me te horahia |
Thermal |
Whatu me te horahia
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te mana hurihuri optical | +120.6 deg | C: 0.62 g / 100ml; Whakarewa: chloroform | (1) ic |
Te mana hurihuri optical | +120.57 deg | C: 0.62 g / 100ml; Whakarewa: chloroform; TOM: 20 ° C | (2) ic |
Te mana hurihuri optical | +119.57 deg | C: 1.0 g / 100ml; Whakarewa: chloroform; λ: 589.3 NM; Top: 25 ° C | (3) cas |
Te mana hurihuri optical | +119.57 nga nekehanga · ML / g · dm | C: 1.0 g / 100ml; Whakarewa: chloroform; λ: Raina Sodium D; Top: 25 ° C | (4) cas |
Te mana hurihuri optical | +117.6 deg | C: 0.56 g / 100ml; Whakarewa: chloroform; Top: 23 ° C | (5) ic |
Te mana hurihuri optical | +116.14 nekehanga · ML / g · dm | C: 1.0 g / 100ml; Whakarewa: chloroform; λ: Raina Sodium D; Tom: 26 ° C | (4) cas |
Te mana hurihuri optical | +96 deg | C: 0.40 g / 100ml; App: 21 ° C | (6) ic |
Te mana hurihuri optical | +77.8 deg | C: 0.62 g / 100ml; Whakarewa: chloroform; λ: 589.3 NM; Top: 25 ° C | (7) cas |
(1) Terasawa, Hirofumi; Matū me te Porohita Pharmaceutical, (1989), 37 (12), 3382-5, Caplus
(2) Tagawa, Hiroaki; Ep220601, A1, 1987, Caplus
(3) Henegar, Kevin e .; Journal of organic matū, (1997), 62 (19), 6588-6597, Caplus
(4) Watanabe, Tatsuya; Chemistlist - He Journal Ahia, (2013), 8 (3), 630-638, Caplus
(5) Ejima, AKIO; Journal of the Chetical Society, Perkin Whakawhitinga 1: Ko te matū waro me te bio-organic (1972-1999), (1990) (1), 27-31, Caplus
(6) wani, mansukh c .; Journal of Placemeril Material, (1987), 30 (12), 2317-19, Caplus
(7) Kuang, Yun-Yan; Helvetica Chimica ActA, (2010), 93 (10), 2094-2099, Caplus
Thermal
Rawa | Wāriu | Āhuatanga | Mātāpuna | |
Hanumi wāhi | 183-185 ° C (Decomp) | (1) cas | ||
Hanumi wāhi | 177.1-178.3 ° C | (2) cas | ||
Hanumi wāhi | 176-177 ° C (Decomp) | (3) ic | ||
Hanumi wāhi | 169-170 ° C | Whakarewa: | Ethyl AcTate | (4) ic |
(1) kuang, Yun-yan; Helvetica Chimica ActA, (2010), 93 (10), 2094-2099, Caplus
(2) Henegar, Kevin e .; Journal of organic matū, (1997), 62 (19), 6588-6597, Caplus
(3) Ejima, AKIO; Journal of the Chetical Society, Perkin Whakawhitinga 1: Ko te matū waro me te bio-organic (1972-1999), (1990) (1), 27-31, Caplus
(4) wani, mansukh c .; Journal of Placemeril Material, (1987), 30 (12), 2317-19, Caplus
E waatea ana te Spectra
1h nmr
Tōpūtanga
Nga Taonga e waatea ana |
Pāpori |
Matū |
Tōnu |
Lipinski |
Hanganga |
Thermal |
Pāpori
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te take koiora | 1.0 | Ph 1; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | ph 2; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | wh 3; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | ph 4; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | A 5; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | ph 6; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | A 7; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | A 8; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | A 9; Top: 25 ° C | (1) ACD |
Te take koiora | 1.0 | ph 10; Top: 25 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Matū
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hononga | 7.37 | Ph 1; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | ph 2; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | wh 3; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | ph 4; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | A 5; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | ph 6; Top: 25 ° C | (1) ACD |
Hononga | 7.37 | A 7; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hononga | 7.37 | A 8; Top: 25 ° C | (1) ACD |
Hononga | 7.33 | A 9; Top: 25 ° C | (1) ACD |
Hononga | 6.94 | ph 10; Top: 25 ° C | (1) ACD |
arotau | -0.94 | Ph 1; Top: 25 ° C | (1) ACD |
arotau | -0.94 | ph 2; Top: 25 ° C | (1) ACD |
arotau | -0.94 | wh 3; Top: 25 ° C | (1) ACD |
arotau | -0.94 | ph 4; Top: 25 ° C | (1) ACD |
arotau | -0.94 | A 5; Top: 25 ° C | (1) ACD |
arotau | -0.94 | ph 6; Top: 25 ° C | (1) ACD |
arotau | -0.94 | A 7; Top: 25 ° C | (1) ACD |
arotau | -0.94 | A 8; Top: 25 ° C | (1) ACD |
arotau | -0.94 | A 9; Top: 25 ° C | (1) ACD |
arotau | -0.96 | ph 10; Top: 25 ° C | (1) ACD |
arotau | -0.936 ± 0.842 | Top: 25 ° C | (1) ACD |
Ko te whakaraeraetanga o te papatipu | 371 g / l | Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | A 5; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | A 7; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | A 8; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | A 9; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 392 g / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 371 g / l | PH pH 5.53; Top: 25 ° C | (1) ACD |
Ko te ngoikoretanga o te kolarsic | 1.41 mol / l | Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.41 mol / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.41 mol / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.41 mol / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.41 mol / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.41 mol / l | A 5; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna | |
Te whakararatanga a Molar | 1.41 mol / l | ph 6; Top: 25 ° C | (1) ACD | |
Te whakararatanga a Molar | 1.41 mol / l | A 7; Top: 25 ° C | (1) ACD | |
Te whakararatanga a Molar | 1.41 mol / l | A 8; Top: 25 ° C | (1) ACD | |
Te whakararatanga a Molar | 1.41 mol / l | A 9; Top: 25 ° C | (1) ACD | |
Te whakararatanga a Molar | 1.49 mol / l | ph 10; Top: 25 ° C | (1) ACD | |
Te whakararatanga a Molar | 1.41 mol / l | PH pH 5.53; Top: 25 ° C | (1) ACD | |
Taumaha Momo | 263.25 | |||
pāt | 11.20 ± 0.20 | Te nuinga o te Opeware: 25 ° C | (1) ACD | |
pāt | -2.24 ± 0.40 | Te tino tauira taketake: 25 ° C | (1) ACD | |
Te pēhanga umu | 1.29 x 10-20 | Awa | Top: 25 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Tōnu
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Tōnu | 1.50 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
Rōnga MOAR | 174.8 ± 5.0 cm3 / mol | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Lipinski
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Nga here hurihuri noa | 2 | (1) ACD | |
H whakaae | 6 | (1) ACD | |
Ko nga putea | 1 | (1) ACD | |
H Donor / Whakaaetanga moni | 7 | (1) ACD | |
arotau | -0.936 ± 0.842 | Top: 25 ° C | (1) ACD |
Taumaha Momo | 263.25 |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Hanganga
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te rohe mata o te polar | 83.9 A2 | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Thermal
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Kohua | 666.6 ± 55.0 ° C | Press: 760 Torr | (1) ACD |
Tuhinga o mua | 112.17 ± 6.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Wāhi uira | 357.0 ± 31.5 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
E waatea ana te Spectra
1h nmr
13c nmr
Tohu pūmanawa | Tauākī mōrearea | Mātāpuna |
H319 | Meinga te tino kanohi pouri | Te Acency Cheropication (ECA) Whakarōpū & Tohu Raarangi - Te Whakaputanga Korero - Te Tauira Tae Atu - ECA) Te Tauira me te Tapanga Tohu |
H302 | Kino ki te horomia | Te Acency Cheropication (ECA) Whakarōpū & Tohu Raarangi - Te Whakaputanga Korero - Te Tauira Tae Atu - ECA) Te Tauira me te Tapanga Tohu |
Nga korero Pakihi Hapori: Panui
Hangai kāwanatanga | ||
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1,8-pyranno (3,4-f) indolizine-3,6,10 (4h) -trione | - | Kōkōkeke |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyranno [3,4-f] indolizine-3,6,10 (4h) -trione | - | Kōkōkeke |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1,8-pyrano (3,4-f) indolizin-3,6,10 (4h) -trion | - | Danish, Tiamana |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano (3,4-f) indolizine-3,6,10 (4h) -trion | - | Tatai |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -trion | - | Danish, Tiamana |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trion | - | Tatai |
(S) -4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione | - | - |
(S) -4-Etil-4-Hidroxi-7,8-dihidro-1H-Pirano (3,4-f) Indolizina-3,6,10 (4h) -triona | - | Potiti, Pāniora |
(S) -4-Etil-4-hidroxi-7,8-dihidro-1H-Pirano [3,4-f] indolizina-3,6,10 (4h) -triona | - | Potiti, Pāniora |
(S) -4-Etil-4-idrosi-7,8-diidro-1H-Pirano (3,4-f) indolizin-3,6,10 (4h) -trione | - | Itari |
(S) -4-Etil-4-idrosi-7,8-diidro-1,8-pirano [3,4-f] indolizin-3,6,10 (4h) -trione | - | Itari |
(S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano (3,4-f) indolizin-3,6,10 (4h) -trion | - | Ripeka |
(S) -4-etyl-4-hydroxi-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -trion | - | Ripeka |
(S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano (3,4-f) indolitsiini-3,6,10 (4h) -trioi | - | Finnish |
(S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano [3,4-f] indolinini-3,6,10 (4h) -trioi | - | Finnish |
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