Chamaemeloside

CAS Registry Number®

173356-77-9
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CAS Name

Chamaemeloside

Molecular Formula

C27H28O14

Molecular Mass

576.50

Cite this Page

Chamaemeloside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=173356-77-9 (retrieved 2024-09-19) (CAS RN: 173356-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32)

InChIKey

InChIKey=WWGLAVUKYJELNJ-UHFFFAOYSA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC=C(O)C=C3)=CC(OC4OC(COC(CC(CC(O)=O)(C)O)=O)C(O)C(O)C4O)=CC2O

Canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

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