Camelliatannin A

CAS Registry Number®

138256-93-6

CAS Name

Camelliatannin A

Molecular Formula

C49H36O27

Molecular Mass

1056.79

Cite this Page

Camelliatannin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138256-93-6 (retrieved 2024-11-05) (CAS RN: 138256-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C49H36O27/c50-15-2-1-10(3-17(15)52)41-22(57)4-11-16(51)8-18(53)27(42(11)73-41)30-29-31-28(38(65)40(67)39(29)66)26-14(7-21(56)34(61)37(26)64)48(70)76-45(44(30)75-49(31)71)43-23(58)9-72-46(68)12-5-19(54)32(59)35(62)24(12)25-13(47(69)74-43)6-20(55)33(60)36(25)63/h1-3,5-8,22-23,30,41,43-45,50-67H,4,9H2

InChIKey

InChIKey=VFRPPNXPLILJQH-UHFFFAOYSA-N

SMILES

OC=1C=2C(C3C(OC(=O)C=4C(C(C2C(=O)O3)=C(O)C1O)=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)C8=C9C(CC(O)C(O9)C%10=CC(O)=C(O)C=C%10)=C(O)C=C8O

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)OC4C7C=8C(O)=CC(O)=C9C8OC(C%10=CC=C(O)C(O)=C%10)C(O)C9

Other Names for this Substance

  • Camelliatannin A
  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-15-deoxy-15-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-, cyclic 16,18-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate), stereoisomer
  • 4,7-Methanodibenzo[f,h][1,4]dioxecin, neovescalin deriv.
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, neovescalin deriv.

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