6′′-Feruloylspinosin

CAS Registry Number®

77690-92-7
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CAS Name

6′′-Feruloylspinosin

Molecular Formula

C38H40O18

Molecular Mass

784.71

Cite this Page

6′′-Feruloylspinosin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77690-92-7 (retrieved 2024-09-19) (CAS RN: 77690-92-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38+/m1/s1

InChIKey

InChIKey=WZAXZHIVHPRTIU-AQOLXXBYSA-N

SMILES

O([C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=C(OC)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(O)C=C4)[C@@H]5O[C@H](COC(C=CC6=CC(OC)=C(O)C=C6)=O)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=4C(=O)C=C(OC4C=C3OC)C=5C=CC(O)=CC5)CO)C(O)C(O)C1O)C=CC6=CC=C(O)C(OC)=C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 6′′-ester with 6-(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-
  • 5-Hydroxy-6-[2-O-[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • 6′′-Feruloylspinosin

Deleted or Replaced CAS Registry Numbers

84288-67-5