3′′,6′′-Di-O-(E)-p-coumaroyltrifolin

CAS Registry Number®

68127-12-8

CAS Name

3′′,6′′-Di-O-(E)-p-coumaroyltrifolin

Molecular Formula

C39H32O15

Molecular Mass

740.66

Cite this Page

3′′,6′′-Di-O-(E)-p-coumaroyltrifolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68127-12-8 (retrieved 2024-11-25) (CAS RN: 68127-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H32O15/c40-23-9-1-20(2-10-23)5-15-30(45)50-19-29-33(47)37(53-31(46)16-6-21-3-11-24(41)12-4-21)35(49)39(52-29)54-38-34(48)32-27(44)17-26(43)18-28(32)51-36(38)22-7-13-25(42)14-8-22/h1-18,29,33,35,37,39-44,47,49H,19H2/b15-5+,16-6+/t29-,33+,35-,37+,39+/m1/s1

InChIKey

InChIKey=NFSCOXCDAAETPI-IGJHLMSYSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](O)[C@@H](OC(/C=C/C5=CC=C(O)C=C5)=O)[C@@H](O)[C@@H](COC(/C=C/C6=CC=C(O)C=C6)=O)O4

Canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC6=CC=C(O)C=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[3,6-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 4H-1-Benzopyran-4-one, 3-[[3,6-bis-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (E,E)-
  • 4H-1-Benzopyran-4-one, 3-[[3,6-bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[[3,6-Bis-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 3′′,6′′-Di-O-(E)-p-coumaroyltrifolin

CAS INSIGHTSTM
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