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）：分子式 C31H45NO8、分子量 559.7。
| CAS号 | 81072-21-1 |
|---|---|
| 分子式 | C31H45NO8 |
| 分子量 | 559.7 |
| LogP | 2.7 |
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 是一种化工化合物，登记 CAS 号为 81072-21-1，分子式 C31H45NO8（分子量 559.7）。
登记 CAS 号：81072-21-1
其分子式 C31H45NO8 由 31 个碳、45 个氢、1 个氮、8 个氧 组成。
别名/同义词：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 · 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 的 CAS 登记号为 81072-21-1。
分子式 C31H45NO8，分子量 559.7。
别名/同义词：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、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（CAS 81072-21-1）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。