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#3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE

Compound with spectra: 1 NMR

#3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE
SpectraBase Compound ID 5LBLA97eZ67
InChI InChI=1S/C44H68O19/c1-17-7-8-44(57-15-17)18(2)30-26(63-44)10-22-20-6-5-19-9-25(23(47)12-42(19,3)21(20)11-29(49)43(22,30)4)58-40-36(55)34(53)37(28(14-46)60-40)61-41-38(33(52)32(51)27(13-45)59-41)62-39-35(54)31(50)24(48)16-56-39/h11,17-20,22-28,30-41,45-48,50-55H,5-10,12-16H2,1-4H3/t17-,18+,19+,20-,22+,23+,24-,25-,26+,27-,28+,30+,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+/m1/s1
InChIKey VRYJBJLYAWJDKR-AKPHGMPUSA-N
Mol Weight 901.0 g/mol
Molecular Formula C44H68O19
Exact Mass 900.43548 g/mol
Enantiomer InChIKey VRYJBJLYAWJDKR-KKHVXDJXSA-N

View Spectrum of #3;(25R)-2-ALPHA-HYDROXY-3-BETA-[(O-BETA-D-XYLOPYARNOSYL-(1->2)-O-BETA-D-GLUCOPYARNOSYL-(1->4)-BETA-D-GALACTOPYRANOSYL)-OXY]-5-ALPHA-SPIROST-9-EN-12-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Steroidal saponins from the whole plants of Agave utahensis and their cytotoxic activity Phytochemistry 2009
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