Castanin

CAS Registry Number®

115406-24-1
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CAS Name

Castanin

Molecular Formula

C34H24O22

Molecular Mass

784.54

Cite this Page

Castanin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115406-24-1 (retrieved 2024-09-19) (CAS RN: 115406-24-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2

InChIKey

InChIKey=CHBITXAMNKHJCR-UHFFFAOYSA-N

SMILES

OC1=C2C3=C(C(O)C(OC3=O)C(OC(=O)C=4C2=C(O)C(O)=C(O)C4)C5OC(=O)C=6C(C=7C(C(=O)OCC5O)=CC(O)=C(O)C7O)=C(O)C(O)=C(O)C6)C(O)=C1O

Canonical SMILES

O=C1OCC(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C13)C4OC(=O)C5=CC(O)=C(O)C(O)=C5C6=C(O)C(O)=C(O)C7=C6C(=O)OC4C7O

Other Names for this Substance

  • Castanin
  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-, cyclic 16,18-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate), [16(S)]-
  • 4,7-Methanodibenzo[f,h][1,4]dioxecin, neovescalin deriv.
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, neovescalin deriv.
  • 5-Desgalloylstachyurin

View All

Deleted or Replaced CAS Registry Numbers

132302-26-2