(3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid (CAS 1061-64-9) — formula C27H46O6, molecular weight 466.6; category organic chemicals.
| CAS Number | 1061-64-9 |
|---|---|
| Molecular Formula | C27H46O6 |
| Molecular Weight | 466.6 |
| LogP | 3.9 |
| Category | Organic Chemicals |
(3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid is a carbon-based organic compound with CAS registry number 1061-64-9 and molecular formula C27H46O6 (molecular weight 466.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1061-64-9
Its molecular formula C27H46O6 comprises 27 C, 46 H, 6 O atoms.
Also known as: (3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid · (3a,5b,7a,12a)- 3,7,12,24-四羟基-胆甾坦-26-油酸
Category: organic chemicals
The CAS registry number of (3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid is 1061-64-9.
Molecular formula C27H46O6, molecular weight 466.6.
It is also registered under: (3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid, (3a,5b,7a,12a)- 3,7,12,24-四羟基-胆甾坦-26-油酸.
Category: Organic Chemicals.
Independent reference data for (3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid (CAS 1061-64-9), compiled from public chemistry databases.
| CAS 号 | 1061-64-9 |
|---|---|
| PubChem CID | 3080578 |
| 分子式 | C27H46O6 |
| IUPAC 名称 | (6R)-3-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid |
| UNII（FDA） | NS00121235 |
| Molecular Weight | 466.6 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 466.32943918 |
| Monoisotopic Mass | 466.32943918 |
| Topological Polar Surface Area | 118 |
| Heavy Atom Count | 33 |
Varanic acid; TTHCA; 3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid; 1061-64-9; 3,7,12,24-Tetrahydroxycholestanoic acid; CHEBI:48742; DTXSID901318051; RefChem:933933; DTXCID301747842; 3 alpha,7 alpha,12 alpha,24-tetrahydroxy-5 beta-cholestanoic acid; 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestanoic acid; Cholestan-26-oic acid, 3,7,12,24-tetrahydroxy-, (3alpha,5beta,7alpha,12alpha)- (VAN); SCHEMBL29391720; LMST04030067; NS00121235; Q27121366
(3a,5b,7a,12a)- 3,7,12,24-四羟基-胆甾坦-26-油酸 · CAS 1061-64-9 · C27H46O6. UNII NS00121235.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.