β-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]

CAS Registry Number®

155380-01-1

CAS Name

β-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]

Molecular Formula

C45H52O23

Molecular Mass

960.88

Cite this Page

β-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155380-01-1 (retrieved 2024-11-22) (CAS RN: 155380-01-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/b10-7+,11-8+,12-9+/t30-,31-,38-,39-,40+,41+,42-,43-,44-,45+/m1/s1

InChIKey

InChIKey=HVHNDGOZMSAQDC-PKCRMPFFSA-N

SMILES

O(C[C@H]1O[C@@H](OC(/C=C/C2=CC(OC)=C(O)C(OC)=C2)=O)[C@H](OC(/C=C/C3=CC(OC)=C(O)C(OC)=C3)=O)[C@@H](O)[C@@H]1O)[C@H]4[C@H](OC(/C=C/C5=CC(OC)=C(O)C(OC)=C5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2OC(=O)C=CC3=CC(OC)=C(O)C(OC)=C3)C(O)C(O)C1OC(=O)C=CC4=CC(OC)=C(O)C(OC)=C4)C=CC5=CC(OC)=C(O)C(OC)=C5

Other Names for this Substance

  • β-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
  • β-D-Glucopyranose, 6-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-, 1,2-bis[3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate], [1(E),2(E),6(E)]-
  • β-D-Glucopyranose, 6-O-[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-, 1,2-bis[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate]
  • 1,2,2′-Trisinapoylgentiobiose

CAS INSIGHTSTM
Targeted protein degrader structure, illustration