Basic information
- CAS
143290-36-2- Standard SMILES
O=C1CCc2c1ccc1c3c(ccc21)[C@H](O)[C@@H](O)C=C3- InChIKey
PNSHSXFGDZZVES-IRXDYDNUSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-, trans-
- IUPAC
- (3S,4S)-3,4-dihydroxy-3,4,15,16-tetrahydrocyclopenta[a]phenanthren-17-one
Names & synonyms
17H-Cyclopenta(a)phenanthren-17-one, 3,4,15,16-tetrahydro-3,4-dihydroxy-, trans-143290-36-2DTXSID40162378RefChem:236721DTXCID90848693beta,4alpha-Dihydroxygona-1,5(10),6,8,11,13-hexaen-17-one
Database identifiers
- CAS
143290-36-2- PubChem CID
- 178708
- DTXSID
DTXSID40162378
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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