[6-[3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
Grundinformationen
- CAS
77704-34-8- Standard-SMILES
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)C(=O)CC12C- InChIKey
BCTZZCQBLBDVRU-UHFFFAOYSA-N- Summenformel
- C38H60O13
- Durchschnittliche Molmasse
- 724,9 g/mol
Überblick
[6-[3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate has been reported in Hemsleya chinensis with data available.
Namen und Bezeichner
- Bevorzugter Name
- [6-[3,16-Dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
- IUPAC
- [6-[3,16-dihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
- Englischer Name
- Cucurbitacin IIa 2-O-glucoside
- Summenformel
- C38H60O13
- Molmasse
- 724.88
Namen und Synonyme
orb1680745TN5995AKOS040763087Hemslecin A 2-O-glucosideCucurbitacin IIa 2-O-glucosideCucurbitacinIIa2-O-glucoside/HemslecinA2-O-β-D-glucopyranoside(2β,3α,9β,10α,16α)-25-(Acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanost-5-ene-11,22-dione19-Norlanost-5-ene-11,22-dione, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2β,3α,9β,10α,16α)-
Datenbank-Bezeichner
- CAS
77704-34-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 221 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.430
Physikochemische Eigenschaften
- Siedepunkt
- 850.1 · 850.1±65.0 °C(Predicted)
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.81 · 12.81±0.29(Predicted)
Chemie und Industrie
Anbieter19 Anbieter
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海孚宇生物科技有限公司18672534757 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…