2-[2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-9H-xanthen-9-one

CAS Registry Number®

155740-03-7
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CAS Name

2-[2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-9H-xanthen-9-one

Molecular Formula

C35H28O17

Molecular Mass

720.59

Cite this Page

2-[2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-9H-xanthen-9-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155740-03-7 (retrieved 2024-05-06) (CAS RN: 155740-03-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1

InChIKey

InChIKey=JAANJQNFIJSRTK-KYRPIRIWSA-N

SMILES

OC=1C(=C2C(=C(O)C1[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)C=C(O2)C4=CC(O)=C(O)C=C4)C=5C(O)=C6C(=C(O)C5)OC=7C(C6=O)=C(O)C=C(OC)C7

Canonical SMILES

O=C1C=C(OC=2C1=C(O)C(=C(O)C2C3=CC(O)=C4OC5=CC(OC)=CC(O)=C5C(=O)C4=C3O)C6OC(CO)C(O)C(O)C6O)C=7C=CC(O)=C(O)C7

Other Names for this Substance

  • 9H-Xanthen-9-one, 2-[2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-
  • 2-[2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-1,4,8-trihydroxy-6-methoxy-9H-xanthen-9-one
  • Swertifrancheside

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