4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-2,3-dihydro-5-methoxy-, (S)-

CAS Registry Number®

114454-39-6
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CAS Name

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-2,3-dihydro-5-methoxy-, (S)-

Molecular Formula

C28H34O16

Molecular Mass

626.56

Cite this Page

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-2,3-dihydro-5-methoxy-, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114454-39-6 (retrieved 2024-09-19) (CAS RN: 114454-39-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H34O16/c1-39-16-5-11(6-17-20(16)14(33)7-15(41-17)10-2-3-12(31)13(32)4-10)40-27-25(38)23(36)26(19(9-30)43-27)44-28-24(37)22(35)21(34)18(8-29)42-28/h2-6,15,18-19,21-32,34-38H,7-9H2,1H3

InChIKey

InChIKey=CEJOKNKJINIMGF-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(OC(CC2=O)C3=CC(O)=C(O)C=C3)=CC(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)=C1

Canonical SMILES

O=C1C=2C(OC)=CC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=CC2OC(C5=CC=C(O)C(O)=C5)C1

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-2,3-dihydro-5-methoxy-, (S)-