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#5;SCUPONTIN-E;(11S,13S,16S,3'S,3''S,3'ï''S)-6-ALPHA-ACETOXY-19-[[3'-[[3''-[(3'''-HYDROXYBUTYRYL)-OXY]BUTYRYL]OXY]BUTYRYL]OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOCl

Compound with spectra: 1 NMR

#5;SCUPONTIN-E;(11S,13S,16S,3'S,3''S,3'ï''S)-6-ALPHA-ACETOXY-19-[[3'-[[3''-[(3'''-HYDROXYBUTYRYL)-OXY]BUTYRYL]OXY]BUTYRYL]OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOCl
SpectraBase Compound ID 53p0FYseBkR
InChI InChI=1S/C34H50O13/c1-18-9-27(46-22(5)36)34(17-42-28(38)11-20(3)45-30(40)12-21(4)44-29(39)10-19(2)35)25(14-24(37)15-33(34)16-43-33)32(18,6)26-13-23-7-8-41-31(23)47-26/h7-8,18-21,23-27,31,35,37H,9-17H2,1-6H3/t18-,19-,20+,21+,23+,24-,25-,26-,27+,31-,32+,33+,34+/m0/s1
InChIKey JWDRSFRYICOIEM-GSIQYVCXSA-N
Mol Weight 666.8 g/mol
Molecular Formula C34H50O13
Exact Mass 666.325142 g/mol
Enantiomer InChIKey JWDRSFRYICOIEM-RJTOLVQTSA-N

View Spectrum of #5;SCUPONTIN-E;(11S,13S,16S,3'S,3''S,3'ï''S)-6-ALPHA-ACETOXY-19-[[3'-[[3''-[(3'''-HYDROXYBUTYRYL)-OXY]BUTYRYL]OXY]BUTYRYL]OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOCl

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Neoclerodane Diterpenoids from Scutellaria pontica Journal of Natural Products 1997
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