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(11S,13S,16S,3'S,3''S)-2-ALPHA,6-ALPHA-DIACETOXY-19-[[3'-[(3''-ACETOXYBUTYRYL)-OXY]-BUTYRYL]-OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOClEROD-14-ENE

Compound with spectra: 1 NMR

(11S,13S,16S,3'S,3''S)-2-ALPHA,6-ALPHA-DIACETOXY-19-[[3'-[(3''-ACETOXYBUTYRYL)-OXY]-BUTYRYL]-OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOClEROD-14-ENE
SpectraBase Compound ID IRxpraQ21Sj
InChI InChI=1S/C34H48O13/c1-18-10-28(46-23(6)37)34(17-41-29(38)11-20(3)44-30(39)12-19(2)43-21(4)35)26(14-25(45-22(5)36)15-33(34)16-42-33)32(18,7)27-13-24-8-9-40-31(24)47-27/h8-9,18-20,24-28,31H,10-17H2,1-7H3/t18-,19+,20+,24-,25-,26-,27+,28+,31+,32+,33+,34+/m0/s1
InChIKey IAXNFDVDVWTCGH-MROUUCAESA-N
Mol Weight 664.7 g/mol
Molecular Formula C34H48O13
Exact Mass 664.309492 g/mol
Enantiomer InChIKey IAXNFDVDVWTCGH-GGWQGGLXSA-N

View Spectrum of (11S,13S,16S,3'S,3''S)-2-ALPHA,6-ALPHA-DIACETOXY-19-[[3'-[(3''-ACETOXYBUTYRYL)-OXY]-BUTYRYL]-OXY]-4-ALPHA,18;11,16;15,16-TRIEPOXYNEOClEROD-14-ENE

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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