1,2-Epoxy-17H-cyclopenta(a)phenanthren-17-one, 1,2,3,4,15,16-hexahydro-3,4-dihydroxy-, (1alpha,2alpha,3alpha,4beta)-(+-)-
Basic information
- CAS
143216-77-7- Standard SMILES
O=C1CCc2c1ccc1c3c(ccc21)[C@H](O)[C@@H](O)[C@@H]1O[C@H]31- InChIKey
YEQANZJNVPCYRD-HZMVEIRTSA-N- Molecular formula
- C17H14O4
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.08920892
Names & identifiers
- Preferred name
- 1,2-Epoxy-17H-cyclopenta(a)phenanthren-17-one, 1,2,3,4,15,16-hexahydro-3,4-dihydroxy-, (1alpha,2alpha,3alpha,4beta)-(+-)-
- IUPAC
- (3R,5S,6R,7S)-6,7-dihydroxy-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-1(11),2(8),9,12(16),17-pentaen-15-one
Names & synonyms
143216-77-71,2-Epoxy-17H-cyclopenta(a)phenanthren-17-one, 1,2,3,4,15,16-hexahydro-3,4-dihydroxy-, (1alpha,2alpha,3alpha,4beta)-(+-)-DTXSID809317823,4-Dihydroxy-1,2-epoxygona-5,7,9,11,13-pentaen-17-one3beta,4alpha-Dihydroxy-1alpha,2alpha-1,2-epoxygona-5,7,9,11,13-pentaen-17-one
Database identifiers
- CAS
143216-77-7- PubChem CID
- 178691
- DTXSID
DTXSID80931782- Nikkaji
- J493.796A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
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Compound notes
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