1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-Hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone

CAS Registry Number®

271579-12-5

CAS Name

1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-Hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone

Molecular Formula

C35H30O17

Molecular Mass

722.60

Cite this Page

1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-Hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=271579-12-5 (retrieved 2024-11-23) (CAS RN: 271579-12-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2

InChIKey

InChIKey=UJNCWORGHSATHA-UHFFFAOYSA-N

SMILES

OC1=C2C=3C(C(=O)OCC4C(OC(=O)C2=CC(O)=C1O)C(O)C(O)C(OC5=CC(O)=C(C(CCC6=CC=CC=C6)=O)C(O)=C5)O4)=CC(O)=C(O)C3O

Canonical SMILES

O=C1OCC2OC(OC3=CC(O)=C(C(=O)CCC=4C=CC=CC4)C(O)=C3)C(O)C(O)C2OC(=O)C5=CC(O)=C(O)C(O)=C5C=6C(O)=C(O)C(O)=CC16

Other Names for this Substance

  • 1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-
  • 1-[4-[[4,6-O-[[(1S)-4,4′,5,5′,6,6′-Hexahydroxy[1,1′-biphenyl]-2,2′-diyl]dicarbonyl]-β-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-1-propanone
  • Thonningianin B

CAS INSIGHTSTM
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