(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

CAS Registry Number®

96686-70-3

CAS Name

(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one

Molecular Formula

C30H28O12

Molecular Mass

580.54

Cite this Page

(2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96686-70-3 (retrieved 2025-01-07) (CAS RN: 96686-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29+,30+/m0/s1

InChIKey

InChIKey=PLORCKNHUZJPKH-AVNPKAOGSA-N

SMILES

O=C1C=2C(O[C@@H](C1)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](COC(/C=C/C5=CC=C(O)C=C5)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C(OCC1OC(OC2=CC(O)=C3C(=O)CC(OC3=C2)C4=CC=C(O)C=C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-, (2S)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, 6′-ester with 7-(β-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, [S-(E)]-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-, (2S)-
  • (2S)-2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
  • NSC 339192

View All

Deleted or Replaced CAS Registry Numbers

1401251-28-2

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