6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol
Basic information
- CAS
6951-92-4- Standard SMILES
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(C)O)[C@@]2(C)CC[C@H](O)C[C@H]12- InChIKey
JGPUZUZZOULXJW-VLWKOFFBSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Overview
6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol
- IUPAC
- (3S,5R,6S,8R,9S,10S,13S,14S,17S)-6,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
6alpha,17-Dimethyl-5alpha-androstane-3beta,17beta-diol6951-92-4(3S,5R,6S,8R,9S,10S,13S,14S,17S)-6,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diolCHEBI:79405NSC58852NSC-58852Q27148441
Database identifiers
- CAS
6951-92-4- PubChem CID
- 246207
- ChEBI
CHEBI:79405- Nikkaji
- J2.789.666I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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