(-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
(3S,5R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Also Known As: NIOSH/CX3154100|(-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene|(1aR-cis)-1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene|Benz(a)anthracene, 1,2,3,4-tetrahydro-1-alpha,2-alpha-epoxy-, (-)-|1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene (1aR-cis)-|Benzo(6,7)phenanthro(3,4-b)oxirene, 1a,2,3,11c-tetrahydro-, (1aR-cis)-|[1S,(-)]-1,2,3,4-Tetrahydro-1alpha,2alpha-epoxybenzo[a]anthracene|[1aR,(-)]-1abeta,2,3,11cbeta-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene|(3S,5R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1,8,10,12,14,16,18-heptaene
| Molecular Formula | C18H14O |
|---|---|
| Molecular Weight | 246.10446 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.10446 |
| Monoisotopic Mass | 246.10446 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 89618-15-5 |
|---|---|
| SMILES | C1CC2=C([C@H]3[C@@H]1O3)C4=CC5=CC=CC=C5C=C4C=C2 |
| InChIKey | BPWAWXRCSBRVLU-SJLPKXTDSA-N |
Product Overview
(-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 89618-15-5), with molecular formula C18H14O and molecular weight 246.10446 g/mol. IUPAC: (3S,5R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene.