β-D-Glucopyranose, 2-[3-(4-hydroxyphenyl)-2-propenoate] 1-(3,4,5-trihydroxybenzoate), (E)-

CAS Registry Number®

94356-18-0
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CAS Name

β-D-Glucopyranose, 2-[3-(4-hydroxyphenyl)-2-propenoate] 1-(3,4,5-trihydroxybenzoate), (E)-

Molecular Formula

C22H22O12

Molecular Mass

478.40

Cite this Page

β-D-Glucopyranose, 2-[3-(4-hydroxyphenyl)-2-propenoate] 1-(3,4,5-trihydroxybenzoate), (E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94356-18-0 (retrieved 2024-09-19) (CAS RN: 94356-18-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3+/t15-,18-,19+,20-,22+/m1/s1

InChIKey

InChIKey=SWCFDHFIUQJCLJ-BDJYXTGXSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@H](OC(/C=C/C3=CC=C(O)C=C3)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2

Canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC(=O)C2=CC(O)=C(O)C(O)=C2)CO)C=CC3=CC=C(O)C=C3

Other Names for this Substance

  • β-D-Glucopyranose, 2-[3-(4-hydroxyphenyl)-2-propenoate] 1-(3,4,5-trihydroxybenzoate), (E)-