4-[4-[[6-O-[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone

CAS Registry Number®

105274-15-5
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CAS Name

4-[4-[[6-O-[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone

Molecular Formula

C32H32O12

Molecular Mass

608.59

Cite this Page

4-[4-[[6-O-[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105274-15-5 (retrieved 2024-07-06) (CAS RN: 105274-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-31(40)21-15-23(34)27(37)24(35)16-21)29(39)28(38)25(43-32)17-41-26(36)14-11-19-5-3-2-4-6-19/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+/t25-,28-,29+,30-,32-/m1/s1

InChIKey

InChIKey=AHLBWJHZDLMJOJ-SIHJTGPPSA-N

SMILES

O([C@H]1[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C3=CC=CC=C3)=O)O1)C4=CC=C(CCC(C)=O)C=C4

Canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=C2)CCC(=O)C)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1O)C=CC=4C=CC=CC4

Other Names for this Substance

  • 2-Butanone, 4-[4-[[6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′-ester with 4-[4-[[6-O-(1-oxo-3-phenyl-2-propenyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone, (E)-
  • 2-Butanone, 4-[4-[[6-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-
  • 4-[4-[[6-O-[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]-2-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]oxy]phenyl]-2-butanone
  • 4-(4′-Hydroxyphenyl)-2-butanone 4′-O-β-D-(2-O-galloyl-6-O-cinnamoyl)glucopyranoside