5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
CAS Registry Number®
142905-19-9
CAS Name
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-oneMolecular Formula
C27H30O16Molecular Mass
610.52Cite this Page
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=142905-19-9 (retrieved ) (CAS RN: 142905-19-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,23-,26+,27+/m1/s1
InChIKey
InChIKey=HIRWMGZVIYIRJM-HXMOASODSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OC)=C(O)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C1C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(OC)C5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
- 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
- Isorhamnetin 3-O-β-D-xylopyranosyl (1→6)-β-D-glucopyranoside