Basic information
- CAS
640-73-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C- InChIKey
UIGQYEDQWMJFEZ-ZVIOFETBSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Names & identifiers
- Preferred name
- (3beta)-3-Hydroxypregn-5-ene-11,20-dione
- IUPAC
- (3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
Names & synonyms
640-73-3RefChem:207904(3beta)-3-Hydroxypregn-5-ene-11,20-dioneNSC75617DTXSID101288705NSC-756173beta-Hydroxypregn-5-ene-11,20-dione(3I(2))-3-Hydroxypregn-5-ene-11,20-dione
Database identifiers
- CAS
640-73-3- PubChem CID
- 253129
- DTXSID
DTXSID101288705
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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