CAS Registry Number®
53452-16-7
CAS Name
Vaccarin
Molecular Formula
C32H38O19
Molecular Mass
726.63
Other Names and Identifiers
InChI
InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17+,18+,21-,22+,23+,25-,26-,27+,28+,29-,30+,31-,32+/m0/s1
InChIKey
InChIKey=GYIKGLVKALOGDP-HLEFUGOVSA-N
SMILES
O([C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C=2C(O)=C3C(=CC2O)OC(=CC3=O)C4=CC=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)[C@H]6[C@H](O)[C@@H](O)[C@@H](O)CO6
Canonical SMILES
O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=CC5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 6-(2-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-
- 6-(2-O-α-L-Arabinopyranosyl-β-D-glucopyranosyl)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
- Vaccarin
