Clitoriacetal structure

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

CAS: 64461-44-5
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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