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RENIEROSIDE_B_3;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,20'-Z)-2'-HYDROXYHEPTACOS-20'-ENOYLAMINO]-9-METHYLOCTADECA-4,8,10-TRIENE-1

Compound with spectra: 1 NMR

RENIEROSIDE_B_3;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,20'-Z)-2'-HYDROXYHEPTACOS-20'-ENOYLAMINO]-9-METHYLOCTADECA-4,8,10-TRIENE-1
SpectraBase Compound ID 38wSGSBaRXo
InChI InChI=1S/C52H95NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-35-40-46(56)51(60)53-44(42-61-52-50(59)49(58)48(57)47(41-54)62-52)45(55)39-36-32-34-38-43(3)37-33-30-28-11-9-7-5-2/h13-14,33,36-39,44-50,52,54-59H,4-12,15-32,34-35,40-42H2,1-3H3,(H,53,60)/b14-13-,37-33+,39-36+,43-38+/t44-,45+,46-,47-,48-,49+,50-,52-/m0/s1
InChIKey XBGQJELPFUYHAI-HYMIQORESA-N
Mol Weight 878.3 g/mol
Molecular Formula C52H95NO9
Exact Mass 877.700684 g/mol
Enantiomer InChIKey XBGQJELPFUYHAI-RELPZYISSA-N

View Spectrum of RENIEROSIDE_B_3;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,20'-Z)-2'-HYDROXYHEPTACOS-20'-ENOYLAMINO]-9-METHYLOCTADECA-4,8,10-TRIENE-1

13C NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD3OD
RENIEROSIDE_B_1;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,21'-Z)-2'-HYDROXYOCTACOS-21'-ENOYLAMINO]-9-METHYLOCTADECA-4,8,10-TRIENE-1
RENIEROSIDE_A_1;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,21'-Z)-2'-HYDROXYOCTACOS-21'-ENYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL
RENIEROSIDE_A_2;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,17'-Z)-2'-HYDROXYHEXACOS-17'-ENOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL
RENIEROSIDE_A_3;1-O-BETA-D-GLUCOPYANOSYL-(2-S,3-R,4-E,8-E,10-E)-2-[(2'-R,16'-Z)-2'-HYDROXYPENTACOS-16'-ENOYLAMINO]-OCTADECA-4,8,10-TRIENE-1,3-DIOL
HexCer 16:2;2O/18:1;O
HexCer 16:2;2O/27:1;O
HexCer 16:2;2O/35:1;O
HexCer 16:2;2O/31:1;O
HexCer 16:2;2O/42:1;O
HexCer 16:2;2O/36:1;O
Title Journal or Book Year
Renierosides, Cerebrosides from a Marine Sponge Haliclona (Reniera) sp. Journal of Natural Products 2007
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