(4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid (CAS 91414-09-4) — formula C25H42O4, molecular weight 406.6; category organic chemicals.
| CAS Number | 91414-09-4 |
|---|---|
| Molecular Formula | C25H42O4 |
| Molecular Weight | 406.6 |
| LogP | 5.1 |
| Category | Organic Chemicals |
(4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid is a carbon-based organic compound with CAS registry number 91414-09-4 and molecular formula C25H42O4 (molecular weight 406.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 91414-09-4
Its molecular formula C25H42O4 comprises 25 C, 42 H, 4 O atoms.
Also known as: (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid · (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-二羟基-7,10,13-三甲基-1,2,3,4,5,6,8,9,11,12,14,15,16,17-十四氢环戊[a]苯苏仑-17-基]戊酸
Category: organic chemicals
The CAS registry number of (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid is 91414-09-4.
Molecular formula C25H42O4, molecular weight 406.6.
It is also registered under: (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid, (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-二羟基-7,10,13-三甲基-1,2,3,4,5,6,8,9,11,12,14,15,16,17-十四氢环戊[a]苯苏仑-17-基]戊酸.
Category: Organic Chemicals.
Independent reference data for (4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimeth yl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan thren-17-yl]pentanoic acid (CAS 91414-09-4), compiled from public chemistry databases.
| CAS 号 | 91414-09-4 |
|---|---|
| PubChem CID | 146328 |
| 分子式 | C25H42O4 |
| IUPAC 名称 | (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular Weight | 406.6 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 406.30830982 |
| Monoisotopic Mass | 406.30830982 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 29 |
3,7-Dihydroxy-7-methylcholanoic acid; 7-Mecdc; 7-Meudc; 7-Methylursodeoxycholic acid; 7-Methylchenodeoxycholic acid; 91414-09-4; 3,7-DMC; Cholan-24-oic acid, 3,7-dihydroxy-7-methyl-, (3alpha,5beta,7beta)-; RefChem:91868; DTXSID40919763; SCHEMBL592433; 3,7-Dihydroxy-7-methylcholan-24-oic acid; 3alpha,7alpha-Dihydroxy-7beta-methyl-5beta-cholanoic acid; 3alpha,7beta-Dihydroxy-7alpha-methyl-5beta-cholanoic acid; 3alpha,7alpha-Dihydroxy-7beta-methyl-5beta-cholan-24-oic acid
(4R)-4-[(3R,5S,7R,8S,9S,10R,13R,14S,17R)-3,7-二羟基-7,10,13-三甲基-1,2,3,4,5,6,8,9,11,12,14,15,16,17-十四氢环戊[a]苯苏仑-17-基]戊酸 · CAS 91414-09-4 · C25H42O4.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.