AC1L4A8J
(3R,5S,6S,7R)-6,7-dihydroxy-18-methyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-1(11),2(8),9,12(16),17-pentaen-15-one
Also Known As: Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate|1,2,3,4,15,16-Hexahydro-3,4-dihydroxy-11-methyl-1,2-epoxy-17H-cyclopenta(a)phenanthren-17-one (1alpha,2alpha,3beta,4alpha)-|1,2-Epoxy-17H-cyclopenta(a)phenanthren-17-one, 1,2,3,4,15,16-hexahydro-3,4-dihydroxy-11-methyl-, (1alpha,2alpha,3beta,4alpha)-|3,4-Dihydroxy-11-methyl-1,2-epoxygona-5(10),6,8(14),9(11),12-pentaen-17-one|3alpha,4beta-Dihydroxy-11-methyl-1alpha,2alpha-1,2-epoxygona-5(10),6,8(14),9(11),12-pentaen-17-one
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10486 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 70.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.10486 |
| Monoisotopic Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 72007-70-6 |
|---|---|
| SMILES | CC1=CC2=C(CCC2=O)C3=C1C4=C(C=C3)[C@H]([C@@H]([C@H]5[C@@H]4O5)O)O |
| InChIKey | OONMZYAELZAOKE-XDNAFOTISA-N |
Product Overview
AC1L4A8J (CAS 72007-70-6), with molecular formula C18H16O4 and molecular weight 296.10486 g/mol. IUPAC: (3R,5S,6S,7R)-6,7-dihydroxy-18-methyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadeca-1(11),2(8),9,12(16),17-pentaen-15-one.
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