Kaempferol 3-O-β-D-glucopyranoside 6′′-(3-hydroxy-3-methylglutarate)

CAS Registry Number®

157407-84-6

CAS Name

Kaempferol 3-O-β-D-glucopyranoside 6′′-(3-hydroxy-3-methylglutarate)

Molecular Formula

C27H28O15

Molecular Mass

592.50

Cite this Page

Kaempferol 3-O-β-D-glucopyranoside 6′′-(3-hydroxy-3-methylglutarate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=157407-84-6 (retrieved 2025-01-07) (CAS RN: 157407-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20-,22+,23-,26+,27?/m1/s1

InChIKey

InChIKey=ZALWWUJLKFBCQF-ZKZRXTDRSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@@H]4O[C@H](COC(CC(CC(O)=O)(C)O)=O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(4-carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • Pentanedioic acid, 3-hydroxy-3-methyl-, 6′-ester with 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 3-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 3-O-β-D-glucopyranoside 6′′-(3-hydroxy-3-methylglutarate)

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