2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

61474-16-6
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CAS Name

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C33H40O22

Molecular Mass

788.66

Cite this Page

2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-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=61474-16-6 (retrieved 2024-09-19) (CAS RN: 61474-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-7-16-20(40)24(44)27(47)32(53-16)50-8-17-21(41)25(45)28(48)33(54-17)55-30-22(42)18-13(38)4-10(35)5-14(18)51-29(30)9-1-2-11(36)12(37)3-9/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1

InChIKey

InChIKey=XXHSUYNZCSBPBG-GZIDCZEMSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(O-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one