Guajavin A

CAS Registry Number®

145826-24-0

CAS Name

Guajavin A

Molecular Formula

C56H40O32

Molecular Mass

1224.90

Cite this Page

Guajavin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=145826-24-0 (retrieved 2024-11-05) (CAS RN: 145826-24-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H40O32/c57-17-9-18(58)31(48-13(17)5-26(66)47(85-48)11-1-19(59)36(67)20(60)2-11)34-33-35-32(44(75)46(77)45(33)76)30-16(8-25(65)40(71)43(30)74)55(81)88-51(50(34)87-56(35)82)49-27(84-52(78)12-3-21(61)37(68)22(62)4-12)10-83-53(79)14-6-23(63)38(69)41(72)28(14)29-15(54(80)86-49)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,34,47,49-51,57-77H,5,10H2

InChIKey

InChIKey=QJOSZTCZZUNIRY-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)C5C(OC(=O)C6=CC(O)=C(O)C(O)=C6)COC(=O)C=7C(C=8C(C(=O)O5)=CC(O)=C(O)C8O)=C(O)C(O)=C(O)C7)C9=C%10C(CC(O)C(O%10)C%11=CC(O)=C(O)C(O)=C%11)=C(O)C=C9O

Canonical SMILES

O=C(OC1COC(=O)C2=CC(O)=C(O)C(O)=C2C3=C(O)C(O)=C(O)C=C3C(=O)OC1C4OC(=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(O)=C(O)C(O)=C%10)C(O)C9)C%11=CC(O)=C(O)C(O)=C%11

Other Names for this Substance

  • Guajavin A
  • Neovescalin, 11-de(6-carboxy-2,3,4-trihydroxyphenyl)-15-deoxy-15-[3,4-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-, cyclic 16,18-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 17-(3,4,5-trihydroxybenzoate), stereoisomer
  • 4,7-Methanodibenzo[f,h][1,4]dioxecin, neovescalin deriv.
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, neovescalin deriv.

CAS INSIGHTSTM
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