(2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid (CAS 7649-05-0) — formula C25H34O8, molecular weight 462.5; category organic chemicals.
(2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid is a carbon-based organic compound with CAS registry number 7649-05-0 and molecular formula C25H34O8 (molecular weight 462.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7649-05-0
Its molecular formula C25H34O8 comprises 25 C, 34 H, 8 O atoms.
Also known as: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid · (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-二甲基-17-氧代-1,2,7,8,9,11,12,14,15,16-十氢环五[a]菲-3-基]氧基]-3,4,5-三羟基-氧杂环己烷-2-甲酸
Category: organic chemicals
The CAS registry number of (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid is 7649-05-0.
Molecular formula C25H34O8, molecular weight 462.5.
It is also registered under: (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid, (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-二甲基-17-氧代-1,2,7,8,9,11,12,14,15,16-十氢环五[a]菲-3-基]氧基]-3,4,5-三羟基-氧杂环己烷-2-甲酸.
Category: Organic Chemicals.
Public-database records for (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylic acid (CAS 7649-05-0), reproduced here for independent cross-checking.
| CAS 号 | 7649-05-0 |
|---|---|
| PubChem CID | 192848 |
| 分子式 | C25H34O8 |
| IUPAC 名称 | (2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-dimethyl-17-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
Androstenedione 3-enol glucosiduronate; 7649-05-0; beta-D-Glucopyranosiduronic acid, 17-oxoandrosta-3,5-dien-3-yl; RefChem:112650; DTXSID00997865; 17-Oxoandrosta-3,5-dien-3-yl hexopyranosiduronic acid; (8xi,9xi)-17-Oxo-14xi-androsta-3,5-dien-3-yl beta-D-glucopyranosiduronic acid
| 分子量 | 462.5 |
|---|---|
| XLogP3 | 1.9 |
| 氢键供体数 | 4 |
| 氢键受体数 | 8 |
| 可旋转键数 | 3 |
| 精确质量 | 462.22536804 |
| 单同位素质量 | 462.22536804 |
| 拓扑极性表面积 | 134 |
| 重原子数 | 33 |
| 形式电荷 | 0 |
(2S,3S,4S,5R,6S)-6-[[(10R,13S)-10,13-二甲基-17-氧代-1,2,7,8,9,11,12,14,15,16-十氢环五[a]菲-3-基]氧基]-3,4,5-三羟基-氧杂环己烷-2-甲酸 · CAS 7649-05-0 · C25H34O8.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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