Basic information
- Standard SMILES
CCCO[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C[C@@H]1O- InChIKey
IACXIMBZVRAEAY-FVWNDUBVSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.6 g/mol
Names & identifiers
- Preferred name
- 2beta-Propyloxy-3alpha-hydroxy-5alpha-pregnan-20-one
- IUPAC
- 1-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2-propoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Names & synonyms
SCHEMBL7416866IACXIMBZVRAEAY-FVWNDUBVSA-N2beta-Propyloxy-3alpha-hydroxy-5alpha-pregnan-20-one
Database identifiers
- PubChem CID
- 70084791
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Related reactions
2 records
Compound notes
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