Basic information
- CAS
42123-09-1- Standard SMILES
Cc1cc2c(c3ccc4ccccc4c13)C[C@H](O)[C@H]2O- InChIKey
REZHGDZPAPULAX-WMZOPIPTSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- 15H-Cyclopenta(a)phenanthrene-16,17-diol, 16,17-dihydro-11-methyl-, trans-
- IUPAC
- (16S,17S)-11-methyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene-16,17-diol
Names & synonyms
42123-09-115H-Cyclopenta(a)phenanthrene-16,17-diol, 16,17-dihydro-11-methyl-, trans-DTXSID0096229511-Methylgona-1(10),2,4,6,8(14),9(11),12-heptaene-16,17-diol11-Methylgona-1(10),2,4,6,8(14),9(11),12-heptaene-16beta,17alpha-diol
Database identifiers
- CAS
42123-09-1- PubChem CID
- 181725
- DTXSID
DTXSID00962295
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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