(2S)-Pinocembrin 7-O-[5-O-(E)-cinnamoyl-β-D-apiosyl-(1→2)-β-D-glucoside]

CAS Registry Number®

773899-29-9
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CAS Name

(2S)-Pinocembrin 7-O-[5-O-(E)-cinnamoyl-β-D-apiosyl-(1→2)-β-D-glucoside]

Molecular Formula

C35H36O14

Molecular Mass

680.65

Cite this Page

(2S)-Pinocembrin 7-O-[5-O-(E)-cinnamoyl-β-D-apiosyl-(1→2)-β-D-glucoside].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=773899-29-9 (retrieved 2024-08-01) (CAS RN: 773899-29-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H36O14/c36-16-26-29(40)30(41)31(49-34-32(42)35(43,18-45-34)17-44-27(39)12-11-19-7-3-1-4-8-19)33(48-26)46-21-13-22(37)28-23(38)15-24(47-25(28)14-21)20-9-5-2-6-10-20/h1-14,24,26,29-34,36-37,40-43H,15-18H2/b12-11+/t24-,26+,29+,30-,31+,32-,33+,34-,35+/m0/s1

InChIKey

InChIKey=UKYYHWOZSNNNIL-HCCBDPSZSA-N

SMILES

O=C1C=2C(O[C@@H](C1)C3=CC=CC=C3)=CC(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@](COC(/C=C/C6=CC=CC=C6)=O)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC2O

Canonical SMILES

O=C(OCC1(O)COC(OC2C(OC3=CC(O)=C4C(=O)CC(OC4=C3)C=5C=CC=CC5)OC(CO)C(O)C2O)C1O)C=CC=6C=CC=CC6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-[[2-O-[5-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]-2-phenyl-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-[[2-O-[5-O-[(2E)-1-oxo-3-phenyl-2-propenyl]-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]-2-phenyl-, (2S)-
  • 2,3-Dihydro-5-hydroxy-7-[[2-O-[5-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-D-apio-β-D-furanosyl]-β-D-glucopyranosyl]oxy]-2-phenyl-4H-1-benzopyran-4-one
  • (2S)-Pinocembrin 7-O-[5-O-(E)-cinnamoyl-β-D-apiosyl-(1→2)-β-D-glucoside]

Deleted or Replaced CAS Registry Numbers

1097040-10-2