(1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid (CAS 80875-94-1) — formula C24H40O6, molecular weight 424.6; category organic chemicals.
| CAS Number | 80875-94-1 |
|---|---|
| Molecular Formula | C24H40O6 |
| Molecular Weight | 424.6 |
| LogP | 2.6 |
| Category | Organic Chemicals |
(1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid is a carbon-based organic compound with CAS registry number 80875-94-1 and molecular formula C24H40O6 (molecular weight 424.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80875-94-1
Its molecular formula C24H40O6 comprises 24 C, 40 H, 6 O atoms.
Also known as: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid · (1b,3a,5b,7a,12a)-1,3,7,12-四羟基-胆烷-24-油酸
Category: organic chemicals
The CAS registry number of (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid is 80875-94-1.
Molecular formula C24H40O6, molecular weight 424.6.
It is also registered under: (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid, (1b,3a,5b,7a,12a)-1,3,7,12-四羟基-胆烷-24-油酸.
Category: Organic Chemicals.
Independent reference data for (1b,3a,5b,7a,12a)-1,3,7,12-tetrahydroxy-Cholan-24-oic acid (CAS 80875-94-1), compiled from public chemistry databases.
| CAS 号 | 80875-94-1 |
|---|---|
| PubChem CID | 5283893 |
| 分子式 | C24H40O6 |
| IUPAC 名称 | (4R)-4-[(1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular Weight | 424.6 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.28248899 |
| Monoisotopic Mass | 424.28248899 |
| Topological Polar Surface Area | 118 |
| Heavy Atom Count | 30 |
1beta-Hydroxycholic acid; 80875-94-1; 1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid; DTXSID001314707; RefChem:1057679; DTXCID001744637; 1b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid; 1b-Hydroxycholate; 1b-Hydroxycholic acid; 1I(2)-Hydroxycholic acid; SCHEMBL1147290; CHEBI:172667; LMST04010114; 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoate; 1b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid; 1b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-oate
(1b,3a,5b,7a,12a)-1,3,7,12-四羟基-胆烷-24-油酸 · CAS 80875-94-1 · C24H40O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.