Guavin C

CAS Registry Number®

105581-31-5

CAS Name

Guavin C

Molecular Formula

C56H40O33

Molecular Mass

1240.90

Cite this Page

Guavin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105581-31-5 (retrieved 2024-11-05) (CAS RN: 105581-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C56H40O33/c57-17-9-18(58)31(44-13(17)5-26(66)43(85-44)11-1-19(59)36(67)20(60)2-11)32-33-34-35-30-16(8-25(65)40(71)46(30)89-56(35,82)55(80,81)49(33)74)53(78)88-48(47(32)87-54(34)79)45-27(84-50(75)12-3-21(61)37(68)22(62)4-12)10-83-51(76)14-6-23(63)38(69)41(72)28(14)29-15(52(77)86-45)7-24(64)39(70)42(29)73/h1-4,6-9,26-27,32,35,43,45,47-48,57-73,80-82H,5,10H2

InChIKey

InChIKey=IPRCRGQCSFYRPQ-UHFFFAOYSA-N

SMILES

OC12C3C4=C(C(C(OC4=O)C(OC(=O)C5=C3C(O1)=C(O)C(O)=C5)C6C(OC(=O)C7=CC(O)=C(O)C(O)=C7)COC(=O)C=8C(C=9C(C(=O)O6)=CC(O)=C(O)C9O)=C(O)C(O)=C(O)C8)C%10=C%11C(CC(O)C(O%11)C%12=CC(O)=C(O)C(O)=C%12)=C(O)C=C%10O)C(=O)C2(O)O

Canonical SMILES

O=C1OCC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3C=4C(O)=C(O)C(O)=CC14)C5OC(=O)C6=CC(O)=C(O)C=7OC8(O)C(C=9C(=O)OC5C(C=%10C(O)=CC(O)=C%11C%10OC(C%12=CC(O)=C(O)C(O)=C%12)C(O)C%11)C9C(=O)C8(O)O)C76

Other Names for this Substance

  • Guavin C
  • Neovescalin, 1,14-anhydro-11-de(6-carboxy-2,3,4-trihydroxyphenyl)-3,15-dideoxy-15-[3,4-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-1,2,3,14b-tetrahydro-1,2-dihydroxy-3-oxo-, cyclic 16,18-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 17-(3,4,5-trihydroxybenzoate), stereoisomer
  • 7H-Dibenzo[g,i][1,5]dioxacycloundecin, neovescalin deriv.
  • 1,11-Methanobenzofuro[4,3,2-ghi][2,5]benzodioxecin, neovescalin deriv.

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles