Basic information
- CAS
151751-38-1- Standard SMILES
Cc1cc2c(c3ccc4c(O)c(O)ccc4c13)CCC2=O- InChIKey
CEISQQCWTQRRCE-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-11-methyl-15,16-dihydrocyclopenta(a)phenanthren-17-one
- IUPAC
- 3,4-dihydroxy-11-methyl-15,16-dihydrocyclopenta[a]phenanthren-17-one
Names & synonyms
151751-38-13,4-Dihydroxy-11-methyl-15,16-dihydrocyclopenta(a)phenanthren-17-one15,16-Dihydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-oneCCRIS 7055AA7KL4H5H3DTXSID701648653,4-Dihydroxy-11-methylgona-1,3,5(10),6,8,11,13-heptaen-17-one15,16-DIHYDRO-3,4-DIHYDROXY-11-METHYL-17H-CYCLOPENTA[A] PHENANTHREN-17-ONE17H-Cyclopenta[a]phenanthren-17-one, 15,16-dihydro-3,4-dihydroxy-11-methyl-
Database identifiers
- CAS
151751-38-1- PubChem CID
- 154653
- DTXSID
DTXSID70164865- UNII
- AA7KL4H5H3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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