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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
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHMAnHFwvYX
Name 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 Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H95NO9
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
Literature Reference Author T.A.MANSOOR,P.B.SHINDE,X.LUO,J.HONG,C.O.LEE,C.J.SIM,B.W.SON, J.H.JUNG
Literature Reference Citation J.NAT.PROD.,70,1481(2007)
Literature Reference DOI 10.1021/np070078u
Molecular Weight 878.328 g/mol
Sample ID 31562
Solvent CD3OD