Clitoriacetal
(6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
Also Known As: Clitoriacetal|(1)Benzopyrano(3,4-b)(1)benzopyran-12(6H)-one, 6a,12a-dihydro-6,1,12a-trihydroxy-2,3,9-trimethoxy-|(6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one|6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno(3,4-b)chromen-12-one|(6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno(3,4-b)chromen-12-one|(6R,6aS,12aR)-6,11,12a-Trihydroxy-2,3,9-trimethoxy-6a,12a-dihydro[1]benzopyrano[2,3-c][1]benzopyran-12(6H)-one|(6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one|6,11,12a-Trihydroxy-2,3,9-trimethoxy-6a,12a-dihydro[1]benzopyrano[2,3-c][1]benzopyran-12(6H)-one
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.0951 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.0951 |
| Monoisotopic Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 64461-44-5 |
|---|---|
| SMILES | COC1=CC(=C2C(=C1)O[C@@H]3[C@@H](OC4=CC(=C(C=C4[C@@]3(C2=O)O)OC)OC)O)O |
| InChIKey | CJIMGNHPOXRALG-QRVBRYPASA-N |
Product Overview
Clitoriacetal (CAS 64461-44-5), with molecular formula C19H18O9 and molecular weight 390.0951 g/mol. IUPAC: (6R,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one.
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