1-[2,4,6-Trihydroxy-3-[2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

CAS Registry Number®

152041-23-1

CAS Name

1-[2,4,6-Trihydroxy-3-[2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

Molecular Formula

C42H34O25

Molecular Mass

938.70

Cite this Page

1-[2,4,6-Trihydroxy-3-[2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152041-23-1 (retrieved 2024-11-25) (CAS RN: 152041-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H34O25/c1-12(43)28-17(44)10-18(45)29(34(28)58)36-38(67-42(62)16-8-25(52)33(57)26(53)9-16)37(66-41(61)15-6-23(50)32(56)24(51)7-15)35(65-40(60)14-4-21(48)31(55)22(49)5-14)27(64-36)11-63-39(59)13-2-19(46)30(54)20(47)3-13/h2-10,27,35-38,44-58H,11H2,1H3/t27-,35-,36+,37+,38+/m1/s1

InChIKey

InChIKey=GAJWEROGFQRXSF-ZGBJXQIMSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2[C@@H](O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]2OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=C(O)C(C(C)=O)=C(O)C=C6O

Canonical SMILES

O=C(OCC1OC(C=2C(O)=CC(O)=C(C(=O)C)C2O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C1OC(=O)C5=CC(O)=C(O)C(O)=C5)C6=CC(O)=C(O)C(O)=C6

Other Names for this Substance

  • Ethanone, 1-[2,4,6-trihydroxy-3-[2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 2′,3′,4′,6′-tetraester with 1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone
  • 1-[2,4,6-Trihydroxy-3-[2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

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