(-)-Theasinensin B

CAS Registry Number®

89064-32-4
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CAS Name

(-)-Theasinensin B

Molecular Formula

C37H30O18

Molecular Mass

762.62

Cite this Page

(-)-Theasinensin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89064-32-4 (retrieved 2024-03-29) (CAS RN: 89064-32-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2

InChIKey

InChIKey=CTVAVEOYQKVFFY-UHFFFAOYSA-N

SMILES

OC=1C(=C(C=C(O)C1O)C2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)CC=4C(O2)=CC(O)=CC4O)C5=C(C=C(O)C(O)=C5O)C6OC=7C(CC6O)=C(O)C=C(O)C7

Canonical SMILES

O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC4C5OC=6C=C(O)C=C(O)C6CC5O)C7=CC(O)=C(O)C(O)=C7

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-[(1R)-6′-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2′,3′,4,4′,5,6-hexahydroxy[1,1′-biphenyl]-2-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
  • Benzoic acid, 3,4,5-trihydroxy-, 2-[6′-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2′,3′,4,4′,5,6-hexahydroxy[1,1′-biphenyl]-2-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, stereoisomer
  • (-)-Theasinensin B
  • Theasinensin B
  • 2′,2′′′-Bisepigallocatechin monogallate

Deleted or Replaced CAS Registry Numbers

21291-42-9

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