Basic information
- CAS
17353-30-9- Standard SMILES
CC(=O)C1CCC2C3CC=C4CC(O)C=CC4(C)C3CCC12C- InChIKey
CHHJYAJCFCXLTD-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- 1-(3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
- IUPAC
- 1-(3-hydroxy-10,13-dimethyl-4,7,8,9,11,12,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)ethanone
Names & synonyms
NSC22689317353-30-9DTXSID503104093-Hydroxypregna-1,5-dien-20-oneNSC-226893
Database identifiers
- CAS
17353-30-9- PubChem CID
- 313272
- DTXSID
DTXSID50310409
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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