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Substance Name: Didesacetylphyllanthostatin 3
RN: 132282-95-2
InChIKey: NFIKENQZHUEHDM-FMIVXFBMSA-N

Note

  • From Phyllanthus acuminatus.

Molecular Formula

  • C36-H50-O16

Molecular Weight

  • 738.775
 
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Names and Synonyms

Name of Substance

  • Didesacetylphyllanthostatin 3

Synonyms

  • (2S-(2alpha(4'R*(E),5'S*),3beta,3aalpha,6alpha,7aalpha))-2-O-(6-Deoxy-beta-D-glucopyranosyl)-6-deoxy-beta-D-glucopyranose 1-(decahydro-3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-((1-oxo-3-phenyl-2-propenyl)oxy)spiro(benzofuran-2(3H),2'-(2H)pyran)-6-carboxylate)
  • Ddapt 3

Systematic Name

  • beta-D-Glucopyranose, 2-O-(6-deoxy-beta-D-glucopyranosyl)-6-deoxy-, 1-(decahydro-3-hydroxy-3-(hydroxymethyl)-5'-methyl-4'-((1-oxo-3-phenyl-2-propenyl)oxy)spiro(benzofuran-2(3H),2'-(2H)pyran)-6-carboxylate), (2S-(2alpha(4'R*(E),5'S*),3beta,3aalpha,6alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 132282-95-2

System Generated Number

  • 0132282952

Structure Descriptors

InChI

1S/C36H50O16/c1-17-15-46-36(14-24(17)49-25(38)12-9-20-7-5-4-6-8-20)35(45,16-37)22-11-10-21(13-23(22)52-36)32(44)51-34-31(29(42)27(40)19(3)48-34)50-33-30(43)28(41)26(39)18(2)47-33/h4-9,12,17-19,21-24,26-31,33-34,37,39-43,45H,10-11,13-16H2,1-3H3/b12-9+

InChIKey

NFIKENQZHUEHDM-FMIVXFBMSA-N

Smiles

CC1COC2(CC1OC(=O)/C=C/c3ccccc3)C(C4CCC(CC4O2)C(=O)OC5C(C(C(C(O5)C)O)O)OC6C(C(C(C(O6)C)O)O)O)(CO)O