Basic information
- CAS
20685-55-6- Standard SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
FNICIUSFFWRLFW-SOLHUYMASA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- IUPAC
- (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- English name
- (3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12 ,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
- Molecular formula
- C19H32O3
- Molecular weight
- 308.46
Names & synonyms
20685-55-6Androstane-3,11,17-triol #NSC61690SCHEMBL14416968FNICIUSFFWRLFW-SOLHUYMASA-NNSC-616905beta-ANDROSTAN-3alpha, 11beta, 17beta-TRIOL5.beta.-Androstane, 3.alpha., 11.beta., 17.beta.-trihydroxy-(3R,5R,8S,9S,10S,11S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12 ,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol5β-ANDROSTAN-3α, 11β, 17β-TRIOL5B-Androstane-3ALPHA,11B,17B-triol
Database identifiers
- CAS
20685-55-6- PubChem CID
- 247286
- Nikkaji
- J400.905C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Chemistry & industry
Suppliers2 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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