Basic information
- CAS
71659-78-4- Standard SMILES
Cc1c2c(cc3c1ccc1ccccc13)[C@@H](O)[C@H](O)[C@H]1O[C@@H]21- InChIKey
OOTWAARAFMCBLU-YDZRNGNQSA-N- Molecular formula
- C19H16O3
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.10994437
Names & identifiers
- Preferred name
- anti-10,11-Dihydroxy-8,9-epoxy-7-methyl-8,9,10,11-tetrahydrobenz(a)anthracene
- IUPAC
- (4S,6R,7S,8R)-2-methyl-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Names & synonyms
71659-78-4BRN 1394166anti-10,11-Dihydroxy-8,9-epoxy-7-methyl-8,9,10,11-tetrahydrobenz(a)anthraceneBenz(a)anthracene, 8,9,10,11-tetrahydro-10,11-dihydroxy-8,9-epoxy-7-methyl-, anti-DTXSID7099224111-Methyl-1a,2,3,11b-tetrahydrotetrapheno[8,9-b]oxirene-2,3-diol(1aR,2S,3R,11bS)-11-Methyl-1a,2,3,11b-tetrahydrotetrapheno[8,9-b]oxirene-2,3-diol
Database identifiers
- CAS
71659-78-4- PubChem CID
- 51372
- DTXSID
DTXSID70992241
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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