5beta-Pregn-3-en-20-one
Basic information
- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
AMNWULQVHOJWMK-QGVNFLHTSA-N- Molecular formula
- C21H32O
- Average molar mass
- 300.5 g/mol
Names & identifiers
- Preferred name
- 5beta-Pregn-3-en-20-one
- IUPAC
- 1-[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Names & synonyms
5beta-pregn-3-en-20-oneSCHEMBL11598604AMNWULQVHOJWMK-QGVNFLHTSA-N
Database identifiers
- PubChem CID
- 70618436
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Related reactions
1 records
Compound notes
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