β-D-Glucopyranose, 2-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] 1,6-bis(3,4,5-trihydroxybenzoate)

CAS Registry Number®

115713-49-0

CAS Name

β-D-Glucopyranose, 2-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] 1,6-bis(3,4,5-trihydroxybenzoate)

Molecular Formula

C29H26O16

Molecular Mass

630.51

Cite this Page

β-D-Glucopyranose, 2-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] 1,6-bis(3,4,5-trihydroxybenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115713-49-0 (retrieved 2024-11-22) (CAS RN: 115713-49-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)44-26-25(39)24(38)20(11-42-27(40)13-7-16(31)22(36)17(32)8-13)43-29(26)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20-,24-,25+,26-,29+/m1/s1

InChIKey

InChIKey=NWXQDDDDBQYZGE-VTULTLKESA-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](COC(=O)C4=CC(O)=C(O)C(O)=C4)O2

Canonical SMILES

O=C(OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1O)C=CC4=CC=C(O)C=C4

Other Names for this Substance

  • β-D-Glucopyranose, 2-[(2E)-3-(4-hydroxyphenyl)-2-propenoate] 1,6-bis(3,4,5-trihydroxybenzoate)
  • β-D-Glucopyranose, 2-[3-(4-hydroxyphenyl)-2-propenoate] 1,6-bis(3,4,5-trihydroxybenzoate), (E)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration