(+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
(3R,5S,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|5-17-05-00478 (Beilstein Handbook Reference)|(+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene|Benz(a)anthracene-3-beta,4-alpha-diol, 1,2,3,4-tetrahydro-1-beta,2-beta-epoxy-, (+)-|(1R,2S,3S,4R)-1,2-Epoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol|1,2,3,4-Tetrahydro-1beta,2beta-epoxybenzo[a]anthracene-3beta,4alpha-diol|(+)-(1R,2S,3S,4R)-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzanthracene|(1aS)-1aalpha,2,3,11calpha-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2beta,3alpha-diol|[1R,(+)]-1,2,3,4-Tetrahydro-1beta,2beta-epoxybenz[a]anthracene-3beta,4alpha-diol|(3R,5S,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|[1aS,(+)]-1aalpha,2,3,11calpha-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene-2beta,3alpha-diol
| 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 | 80446-23-7 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3[C@@H]5[C@@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | JNQSJMYLVFOQBK-XDNAFOTISA-N |
Product Overview
(+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 80446-23-7), with molecular formula C18H14O3 and molecular weight 278.0943 g/mol. IUPAC: (3R,5S,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.