4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

CAS Registry Number®

116107-19-8

CAS Name

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

Molecular Formula

C27H26O13

Molecular Mass

558.49

Cite this Page

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116107-19-8 (retrieved 2024-11-06) (CAS RN: 116107-19-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1

InChIKey

InChIKey=WBKDRBRGYHZWCT-XMPPFBFMSA-N

SMILES

O([C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=C(O)C=C(/C=C/C4=CC(O)=CC(O)=C4)C=C3

Canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=CC=3C=C(O)C=C(O)C3)C=C2O)C(O)C(O)C1O)C4=CC(O)=C(O)C(O)=C4

Other Names for this Substance

  • β-D-Glucopyranoside, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranoside, 4-[2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenyl, 6-(3,4,5-trihydroxybenzoate), (E)-
  • 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-2-hydroxyphenyl β-D-glucopyranoside 6-(3,4,5-trihydroxybenzoate)

CAS INSIGHTSTM
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