(3R,4R)-7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
Basic information
- CAS
92693-63-5- Standard SMILES
Cc1c2ccccc2c(C)c2c3c(ccc12)[C@@H](O)[C@H](O)C=C3- InChIKey
YZIIKMBFHLJAFT-UYAOXDASSA-N- Molecular formula
- C20H18O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.13067981
Names & identifiers
- Preferred name
- (3R,4R)-7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
- IUPAC
- (3R,4R)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Names & synonyms
DMBA-3R,4R-dihydrodiol(3R,4R)-7,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diolH7B41ISS8E92693-63-57,12-Dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol, (3R,4R)-UNII-H7B41ISS8EJ458.022B7,12-DIMETHYL-3,4-DIHYDROTETRAPHENE-3,4-DIOL(3R,4R)-7,12-dimethyl-3,4-dihydrotetraphene-3,4-diolDTXSID20919004Q27279732(3R,4R)-7,12-DIMETHYL-3,4-DIHYDRO-3,4-TETRAPHENEDIOL
Show more names
3,4-DIHYDRO-7,12-DIMETHYLBENZ(A)ANTHRACENE-3.BETA.,4.ALPHA.-DIOL(3R)-3,4-DIHYDRO-7,12-DIMETHYLBENZO(A)ANTHRACENE-3.BETA.,4.ALPHA.-DIOLBENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-7,12-DIMETHYL-, (3R,4R)-BENZ(A)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-7,12-DIMETHYL-, (3R-TRANS)-
Database identifiers
- CAS
92693-63-5- PubChem CID
- 50096
- DTXSID
DTXSID20919004- UNII
- H7B41ISS8E
- Nikkaji
- J458.022B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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