![rel-(1aR,2S,3R,11cS)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol structure](/static/products/8043/80433-78-9.webp)
rel-(1aR,2S,3R,11cS)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
Also Known As: Ecipramidil|NIOSH/CW4640250|J1.261.993F|rel-(1aR,2S,3R,11cS)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol|1,2,3,4-Tetrahydro-1alpha,2alpha-epoxybenzo[a]anthracene-3beta,4alpha-diol|1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol (1aalpha,2alpha,3beta,11calpha)-|1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol (1aR-(1aalpha,2alpha,3beta,11calpha))-|Benzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-, (1aalpha,2alpha,3beta,11calpha)-|Benzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-, (1aR-(1aalpha,2alpha,3beta,11calpha))-|(-)-(1S,2R,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene|(-)-(1S,2R,3S,4R)-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzanthracene|(1aR,2S,3R,11cS)-1a,2,3,11c-tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol|[1S,(-)]-1,2,3,4-Tetrahydro-1alpha,2alpha-epoxybenzo[a]anthracene-3beta,4alpha-diol|Benz(a)anthracene-3-beta,4-alpha-diol, 1,2,3,4-tetrahydro-1-alpha,2-alpha-epoxy-, (-)-|(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1,8,10,12,14,16,18-heptaene-6,7-diol|[1aR,(-)]-1abeta,2,3,11cbeta-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2beta,3alpha-diol|Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-, [1aR-(1aI+/-,2I+/-,3I(2),11cI+/-)]-
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.0943 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Monoisotopic Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 80433-78-9 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3[C@H]5[C@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | JNQSJMYLVFOQBK-VSZNYVQBSA-N |
Product Overview
rel-(1aR,2S,3R,11cS)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol (CAS 80433-78-9), with molecular formula C18H14O3 and molecular weight 278.0943 g/mol. IUPAC: (3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol.