Basic information
- Standard SMILES
CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(CO)[C@H](C)C1- InChIKey
JSSIKHDLQMYNAY-JHCJLSQTSA-N- Molecular formula
- C24H38O5
- Average molar mass
- 406.6 g/mol
- Monoisotopic mass
- 406.27192431
Names & identifiers
- Preferred name
- 1beta-Methyl-5alpha-androstane-3beta,17beta,19-triol 3,17-diacetate
- IUPAC
- [(1R,3S,5S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10-(hydroxymethyl)-1,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
SCHEMBL11579112JSSIKHDLQMYNAY-JHCJLSQTSA-N1beta-methyl-5alpha-androstane-3beta,17beta,19-triol 3,17-diacetate
Database identifiers
- PubChem CID
- 70614636
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 662
Related reactions
4 records
Compound notes
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