Basic information
- CAS
65763-31-7- Standard SMILES
Cc1c2c(c(C)c3c1ccc1ccccc13)[C@@H]1OC1[C@@H](O)[C@@H]2O- InChIKey
HPHSHHQQIRFIJX-QYRWZOIFSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide
- IUPAC
- (4S,7S,8R)-2,10-dimethyl-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Names & synonyms
Dimethylbenz(a)anthracene-8,9-diol-10,11-epoxide65763-31-77,12-Dimethylbenz(a)anthracene-8,9-diol-10-11-epoxide, antiSCHEMBL10419397DTXSID309842884,11-Dimethyl-1a,2,3,11b-tetrahydrotetrapheno[10,11-b]oxirene-2,3-diol(2S,3R,11bS)-4,11-Dimethyl-1a,2,3,11b-tetrahydrotetrapheno[10,11-b]oxirene-2,3-diol
Database identifiers
- CAS
65763-31-7- PubChem CID
- 47722
- DTXSID
DTXSID30984288
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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