Basic information
- CAS
60915-51-7- Standard SMILES
CC12CCC(O)C(C)(C)C1=C(O)C(=O)C1=C2C(=O)CC2(C)C(=O)CCC12C- InChIKey
GVIAMIGKWDQCSW-UHFFFAOYSA-N- Molecular formula
- C22H28O5
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.19367399
Names & identifiers
- Preferred name
- 3,6-Dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
- IUPAC
- 3,6-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
Names & synonyms
60915-51-7NSC2346943,6-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trioneDTXSID60310955NSC-2346943,6-Dihydroxy-4,4,14-trimethylandrosta-5,8-diene-7,11,17-trione
Database identifiers
- CAS
60915-51-7- PubChem CID
- 314804
- DTXSID
DTXSID60310955
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 875
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…