4H-1-Benzopyran-4-one, 3,8-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
CAS Registry Number®
97218-32-1
CAS Name
4H-1-Benzopyran-4-one, 3,8-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-Molecular Formula
C28H32O16Molecular Mass
624.54Cite this Page
4H-1-Benzopyran-4-one, 3,8-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=97218-32-1 (retrieved ) (CAS RN: 97218-32-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H32O16/c1-41-12-3-2-8(4-9(12)31)25-17(28-24(40)22(38)19(35)14(7-30)43-28)20(36)15-10(32)5-11(33)16(26(15)44-25)27-23(39)21(37)18(34)13(6-29)42-27/h2-5,13-14,18-19,21-24,27-35,37-40H,6-7H2,1H3/t13-,14-,18-,19-,21+,22+,23-,24-,27+,28+/m1/s1
InChIKey
InChIKey=OZSVEJJFZRCNON-XBSBESLBSA-N
SMILES
O=C1C(=C(OC=2C1=C(O)C=C(O)C2[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C4=CC(O)=C(OC)C=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
O=C1C2=C(O)C=C(O)C(=C2OC(C=3C=CC(OC)=C(O)C3)=C1C4OC(CO)C(O)C(O)C4O)C5OC(CO)C(O)C(O)C5O
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3,8-di-β-D-glucopyranosyl-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
- 3,8-Di-C-glucosyldiosmetin