6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Basic information
- CAS
548-97-0- Standard SMILES
CC12CCC(=O)C=C1C(O)CC1C2CCC2(C)C1CCC2(O)C(=O)CO- InChIKey
RVOXVZIZUGYSPL-UHFFFAOYSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932405
Names & identifiers
- Preferred name
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- IUPAC
- 6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
6,17,21-trihydroxypregn-4-ene-3,20-dione6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one548-97-0MLS002638102NSC9733CHEMBL1870018DTXSID10970149HMS3086B03NSC-9733SMR001547595
Database identifiers
- CAS
548-97-0- PubChem CID
- 222806
- DTXSID
DTXSID10970149- ChEMBL
CHEMBL1870018
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…