Basic information
- Standard SMILES
COC[C@]12[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]31)C[C@@H](O)C[C@H]2C- InChIKey
IDNAOFVAIPISQS-NHJCDZISSA-N- Molecular formula
- C21H36O3
- Average molar mass
- 336.5 g/mol
Names & identifiers
- Preferred name
- 19-Methoxy-1beta-methyl-5alpha-androstane-3beta,17beta-diol
- IUPAC
- (1R,3S,5S,8R,9S,10R,13S,14S,17S)-10-(methoxymethyl)-1,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
SCHEMBL11578622IDNAOFVAIPISQS-NHJCDZISSA-N19-methoxy-1beta-methyl-5alpha-androstane-3beta,17beta-diol
Database identifiers
- PubChem CID
- 70614537
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
1 records
Compound notes
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