5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid (CAS 81072-21-1) — formula C31H45NO8, molecular weight 559.7; category organic chemicals.
| CAS Number | 81072-21-1 |
|---|---|
| Molecular Formula | C31H45NO8 |
| Molecular Weight | 559.7 |
| LogP | 2.7 |
| Category | Organic Chemicals |
5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid is a carbon-based organic compound with CAS registry number 81072-21-1 and molecular formula C31H45NO8 (molecular weight 559.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81072-21-1
Its molecular formula C31H45NO8 comprises 31 C, 45 H, 1 N, 8 O atoms.
Also known as: 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid · 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-羟基-10,13-二甲基-17-(5-氧代-2H-呋喃-3-基)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊基[a ]菲-3-基]氧羰基甲基氨基甲酰基]戊酸
Category: organic chemicals
The CAS registry number of 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid is 81072-21-1.
Molecular formula C31H45NO8, molecular weight 559.7.
It is also registered under: 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid, 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-羟基-10,13-二甲基-17-(5-氧代-2H-呋喃-3-基)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊基[a ]菲-3-基]氧羰基甲基氨基甲酰基]戊酸.
Category: Organic Chemicals.
Independent reference data for 5-[[(3S,5R,8R,9S,10S,13R,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-f uran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a ]phenanthren-3-yl]oxycarbonylmethylcarbamoyl]pentanoic acid (CAS 81072-21-1), compiled from public chemistry databases.
| CAS 号 | 81072-21-1 |
|---|---|
| PubChem CID | 3067271 |
| 分子式 | C31H45NO8 |
| IUPAC 名称 | 6-[[2-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]amino]-6-oxohexanoic acid |
| Molecular Weight | 559.7 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 559.31451739 |
| Monoisotopic Mass | 559.31451739 |
| Topological Polar Surface Area | 139 |
| Heavy Atom Count | 40 |
Digitoxigenin-3-beta-N-(carboxyvaleryl)glycyl ester; 81072-21-1; Card-20(22)-enolide, 3-((((5-carboxy-1-oxopentyl)amino)acetyl)oxy)-14-hydroxy-, (3beta,5beta); Adipamic acid, N-(carboxymethyl)-, N-3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide; RefChem:317296; DTXSID701001751; 3-{[N-(5-Carboxy-1-hydroxypentylidene)glycyl]oxy}-14-hydroxycard-20(22)-enolide; (14xi)-3beta-{[N-(5-Carboxy-1-hydroxypentylidene)glycyl]oxy}-14-hydroxy-5beta-card-20(22)-enolide
5-[[(3S,5R,8R,9S,10S,13R,17S)-14-羟基-10,13-二甲基-17-(5-氧代-2H-呋喃-3-基)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-十四氢环戊基[a ]菲-3-基]氧羰基甲基氨基甲酰基]戊酸 · CAS 81072-21-1 · C31H45NO8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.