Basic information
- CAS
70951-83-6- Standard SMILES
O[C@H]1[C@H]2O[C@H]2c2ccc3c(ccc4ccccc43)c2[C@@H]1O- InChIKey
LLBQOVSJZWEDIE-XWTMOSNGSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- Ccris 6340
- IUPAC
- (3S,4R,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
Names & synonyms
70951-83-6anti-1,2,3,4-Tetrahydrochrysene-3,4-diol-1,2-epoxideCCRIS 6340anti-Chrysene-3,4-diol 1,2-oxider-4,t-3-Dihydroxy-t-1,2-oxy-1,2,3,4-tetrahydrochrysene1a,2,3,11b-Tetrahydrochryseno[1,2-b]oxirene-2,3-diol1a,2,3,11b-Tetrahydrochryseno(1,2-b)oxirene-2,3-diol (1a-alpha,2-beta,3-alpha,11b-alpha)-Chryseno(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1a-alpha,2-beta,3-alpha,11b-alpha)-DTXSID80991245(1aR,2R,3S,11bS)-1a,2,3,11b-Tetrahydrochryseno[1,2-b]oxirene-2,3-diol
Database identifiers
- CAS
70951-83-6- PubChem CID
- 153294
- DTXSID
DTXSID80991245- Nikkaji
- J541.197A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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