(+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Basic information
- CAS
76024-59-4- Standard SMILES
O[C@H]1[C@H]2O[C@H]2c2c(c3ccccc3c3ccccc23)[C@@H]1O- InChIKey
FUWPVBOHQHKBIF-XWTMOSNGSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
- IUPAC
- (15S,17R,18R,19S)-16-oxapentacyclo[12.5.0.02,7.08,13.015,17]nonadeca-1(14),2,4,6,8,10,12-heptaene-18,19-diol
Names & synonyms
76024-59-4syn-Benzo(c)phenanthrene-3,4-diol-1,2-epoxideCCRIS 4192SYN-BENZO[C]PHENANTHRENE-3,4-DIOL-1,2-EPOXIDE(+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrenesyn-Benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxideBenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1a-alpha,2-alpha,3-beta,11d-alpha)-, (+)-DTXSID401032777
Database identifiers
- CAS
76024-59-4- PubChem CID
- 53434
- DTXSID
DTXSID401032777
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
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Related reactions
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Compound notes
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