4H-1-Benzopyran-4-one, 2-[4-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-3-methoxyphenyl]-5,7-dihydroxy-6,8-dimethoxy-

CAS Registry Number®

98891-96-4

CAS Name

4H-1-Benzopyran-4-one, 2-[4-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-3-methoxyphenyl]-5,7-dihydroxy-6,8-dimethoxy-

Molecular Formula

C30H34O17

Molecular Mass

666.58

Cite this Page

4H-1-Benzopyran-4-one, 2-[4-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-3-methoxyphenyl]-5,7-dihydroxy-6,8-dimethoxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98891-96-4 (retrieved 2025-03-12) (CAS RN: 98891-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H34O17/c1-30(40,9-18(32)33)10-19(34)44-11-17-21(35)23(37)24(38)29(47-17)46-14-6-5-12(7-16(14)41-2)15-8-13(31)20-22(36)27(42-3)25(39)28(43-4)26(20)45-15/h5-8,17,21,23-24,29,35-40H,9-11H2,1-4H3,(H,32,33)

InChIKey

InChIKey=YBCDABXTVIRRQV-UHFFFAOYSA-N

SMILES

O(C)C1=C2C(=C(O)C(OC)=C1O)C(=O)C=C(O2)C3=CC(OC)=C(OC4OC(COC(CC(CC(O)=O)(C)O)=O)C(O)C(O)C4O)C=C3

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C=CC(=CC2OC)C=3OC=4C(OC)=C(O)C(OC)=C(O)C4C(=O)C3)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[4-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-3-methoxyphenyl]-5,7-dihydroxy-6,8-dimethoxy-
  • Sudachiin B