CCRIS 2085
(3R,5S,6R,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: AC1L1MEG|CCRIS 2085|J1.095.418E|(+-)-trans-1,2-Dihydroxy-anti-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene|(1S,2R,3S,4R)-5-Methyl-1,2,3,4-tetrahydro-3,4-epoxychrysene-1,2-diol|Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-beta-3a-beta)-(+-)-|(7S,8R,8aS,9aR)-10-methyl-7H,8H,8aH,9aH-chryseno[3,4-b]oxirene-7,8-diol
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.10995 g/mol |
| LogP | 3.15 |
| Topological Polar Surface Area | 52.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 930.8 |
Chemical Identifiers
| CAS Number | 96790-40-8 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@@H]([C@H]([C@H]5[C@@H]4O5)O)O |
Product Overview
CCRIS 2085 (CAS 96790-40-8), with molecular formula C19H16O3 and molecular weight 292.10995 g/mol. IUPAC: (3R,5S,6R,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
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