Guavin D

CAS Registry Number®

107937-15-5

CAS Name

Guavin D

Molecular Formula

C51H38O29

Molecular Mass

1114.83

Cite this Page

Guavin D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107937-15-5 (retrieved 2024-11-05) (CAS RN: 107937-15-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H38O29/c1-11(52)75-25-10-74-46(67)14-6-21(57)34(61)37(64)26(14)27-15(7-22(58)35(62)38(27)65)47(68)77-41(25)44-43-30(29-20(56)9-18(54)13-5-24(60)39(76-40(13)29)12-2-3-17(53)19(55)4-12)31-32(49(70)78-43)33-28-16(48(69)79-44)8-23(59)36(63)42(28)80-51(33,73)50(71,72)45(31)66/h2-4,6-9,24-25,30,33,39,41,43-44,53-65,71-73H,5,10H2,1H3

InChIKey

InChIKey=NCAYOGILTZXFSF-UHFFFAOYSA-N

SMILES

OC12C3C=4C(O1)=C(O)C(O)=CC4C(=O)OC(C5C(C(=C3C(=O)O5)C(=O)C2(O)O)C6=C7C(CC(O)C(O7)C8=CC(O)=C(O)C=C8)=C(O)C=C6O)C9C(OC(C)=O)COC(=O)C=%10C(C=%11C(C(=O)O9)=CC(O)=C(O)C%11O)=C(O)C(O)=C(O)C%10

Canonical SMILES

O=C1OCC(OC(=O)C)C(OC(=O)C2=CC(O)=C(O)C(O)=C2C=3C(O)=C(O)C(O)=CC13)C4OC(=O)C5=CC(O)=C(O)C=6OC7(O)C(C=8C(=O)OC4C(C=9C(O)=CC(O)=C%10C9OC(C%11=CC=C(O)C(O)=C%11)C(O)C%10)C8C(=O)C7(O)O)C65

Other Names for this Substance

  • Guavin D
  • Neovescalin, 1,14-anhydro-11-de(6-carboxy-2,3,4-trihydroxyphenyl)-3,15-dideoxy-15-[2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-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-acetate, 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