[(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate (CAS 11051-90-4) — formula C53H78O17, molecular weight 987.2; category organic chemicals.
| CAS Number | 11051-90-4 |
|---|---|
| Molecular Formula | C53H78O17 |
| Molecular Weight | 987.2 |
| LogP | 4.6 |
| Category | Organic Chemicals |
[(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate is a carbon-based organic compound with CAS registry number 11051-90-4 and molecular formula C53H78O17 (molecular weight 987.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 11051-90-4
Its molecular formula C53H78O17 comprises 53 C, 78 H, 17 O atoms.
Also known as: [(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate · [(3S,10S,11S,12S,13S,14S,17S)-17-乙酰基-11-乙酰氧基-3-[(2S,4S,5R,6R)-5-[(2S,4S,5 R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-二羟基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基[y-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-14-羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊二烯[a]菲-12-基] (E)-3-苯基丙-2-烯酸酯
Category: organic chemicals
The CAS registry number of [(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate is 11051-90-4.
Molecular formula C53H78O17, molecular weight 987.2.
It is also registered under: [(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate, [(3S,10S,11S,12S,13S,14S,17S)-17-乙酰基-11-乙酰氧基-3-[(2S,4S,5R,6R)-5-[(2S,4S,5 R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-二羟基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基[y-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-14-羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊二烯[a]菲-12-基] (E)-3-苯基丙-2-烯酸酯.
Category: Organic Chemicals.
Independent reference data for [(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate (CAS 11051-90-4), compiled from public chemistry databases.
| CAS 号 | 11051-90-4 |
|---|---|
| PubChem CID | 6450222 |
| 分子式 | C53H78O17 |
| Molecular Weight | 987.2 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 16 |
| Exact Mass | 986.52390102 |
| Monoisotopic Mass | 986.52390102 |
| Topological Polar Surface Area | 213 |
| Heavy Atom Count | 70 |
Condurango glycoside A; 11051-90-4; [(3S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4R,; SCHEMBL31570690; CHEBI:81180; HY-N12233; DA-52041; CS-0895836; Q27155131
[(3S,10S,11S,12S,13S,14S,17S)-17-乙酰基-11-乙酰氧基-3-[(2S,4S,5R,6R)-5-[(2S,4S,5 R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-二羟基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基[y-6-甲基-氧杂环己烷-2-基]氧基-4-甲氧基-6-甲基-氧杂环己烷-2-基]氧基-14-羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊二烯[a]菲-12-基] (E)-3-苯基丙-2-烯酸酯 · CAS 11051-90-4 · C53H78O17.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.