Ethanone, 1-[3-[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]-, (S)-

CAS Registry Number®

152041-24-2

CAS Name

Ethanone, 1-[3-[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]-, (S)-

Molecular Formula

C42H32O25

Molecular Mass

936.69

Cite this Page

Ethanone, 1-[3-[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]-, (S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152041-24-2 (retrieved 2024-11-24) (CAS RN: 152041-24-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H32O25/c1-10(43)24-15(44)8-16(45)27(32(24)56)36-38(67-40(60)12-4-19(48)29(53)20(49)5-12)37(66-39(59)11-2-17(46)28(52)18(47)3-11)35-23(64-36)9-63-41(61)13-6-21(50)30(54)33(57)25(13)26-14(42(62)65-35)7-22(51)31(55)34(26)58/h2-8,23,35-38,44-58H,9H2,1H3

InChIKey

InChIKey=BFPRZXFAVHXMRP-UHFFFAOYSA-N

SMILES

O(C(=O)C1=CC(O)=C(O)C(O)=C1)C2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C4C(OC2C5=C(O)C(C(C)=O)=C(O)C=C5O)COC(=O)C=6C(C=7C(C(=O)O4)=CC(O)=C(O)C7O)=C(O)C(O)=C(O)C6

Canonical SMILES

O=C1OCC2OC(C=3C(O)=CC(O)=C(C(=O)C)C3O)C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C(OC(=O)C5=CC(O)=C(O)C(O)=C5)C2OC(=O)C6=CC(O)=C(O)C(O)=C6C=7C(O)=C(O)C(O)=CC17

Other Names for this Substance

  • Ethanone, 1-[3-[4,6-O-[(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)dicarbonyl]-2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]-, (S)-
  • [1,1′-Biphenyl]-2,2′-dicarboxylic acid, 4,4′,5,5′,6,6′-hexahydroxy-, cyclic 4′,6′-ester with 1-[3-[2,3-bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]-2,4,6-trihydroxyphenyl]ethanone, (S)-

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