(6R)-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]heptanal (CAS 3836-01-9) — formula C27H46O4, molecular weight 434.7; category organic chemicals.
| CAS Number | 3836-01-9 |
|---|---|
| Molecular Formula | C27H46O4 |
| Molecular Weight | 434.7 |
| LogP | 4.265 |
| Category | Organic Chemicals |
(6R)-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]heptanal is a carbon-based organic compound with CAS registry number 3836-01-9 and molecular formula C27H46O4 (molecular weight 434.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3836-01-9
Its molecular formula C27H46O4 comprises 27 C, 46 H, 4 O atoms.
Also known as: (6R)-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]heptanal · (6R)-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2, 3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]庚醛
Category: organic chemicals
The CAS registry number of (6R)-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]heptanal is 3836-01-9.
Molecular formula C27H46O4, molecular weight 434.7.
It is also registered under: (6R)-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]heptanal, (6R)-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2, 3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]庚醛.
Category: Organic Chemicals.
Independent reference data for (6R)-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]heptanal (CAS 3836-01-9), compiled from public chemistry databases.
| CAS 号 | 3836-01-9 |
|---|---|
| PubChem CID | 439479 |
| 分子式 | C27H46O4 |
| IUPAC 名称 | (6R)-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]heptanal |
| Molecular Weight | 434.7 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 434.33960994 |
| Monoisotopic Mass | 434.33960994 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 31 |
| LogP | 4.265 |
|---|
3,7,12-Trihydroxycholestan-26-al; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al; 3836-01-9; CHEBI:16466; (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al; 3 alpha,7-alpha,12 alpha-trihydroxy-5 beta-cholestan-26-al; DTXSID30959294; RefChem:95573; DTXCID501387177; 3alpha,7-alpha,12alpha-Trihydroxy-5beta-cholestan-26-al; 3a,7a,12a-Trihydroxy-5b-cholestan-26-al; Cholestan-26-al, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-; SCHEMBL21408941; LMST04030164; C01301; Q27101923
(6R)-2-甲基-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2, 3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊[a]菲-17-基]庚醛 · CAS 3836-01-9 · C27H46O4. LogP: 4.265.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.