17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4,15-trihydroxy-
Basic information
- CAS
82322-24-5- Standard SMILES
O=C1CC(O)c2c1ccc1c3c(ccc21)C(O)C(O)C=C3- InChIKey
CVRIWOACCDUGNR-UHFFFAOYSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4,15-trihydroxy-
- IUPAC
- 3,4,15-trihydroxy-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
82322-24-517H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4,15-trihydroxy-DTXSID6010026133,4,15-Trihydroxygona-1,5,7,9,11,13-hexaen-17-one
Database identifiers
- CAS
82322-24-5- PubChem CID
- 190057
- DTXSID
DTXSID601002613
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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