For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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
SpectraBase Compound ID Ce6yN3P9XCC
InChI InChI=1S/C53H97NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-36-41-47(57)52(61)54-45(43-62-53-51(60)50(59)49(58)48(42-55)63-53)46(56)40-37-33-35-39-44(3)38-34-31-29-11-9-7-5-2/h13-14,34,37-40,45-51,53,55-60H,4-12,15-33,35-36,41-43H2,1-3H3,(H,54,61)/b14-13-,38-34+,40-37+,44-39+/t45-,46+,47-,48-,49-,50+,51-,53-/m0/s1
InChIKey AGFKRWRLAJDUHQ-SUEAOJJLSA-N
Mol Weight 892.4 g/mol
Molecular Formula C53H97NO9
Exact Mass 891.716334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FpAcBbg3Sl7
Name 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
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H97NO9
InChI InChI=1S/C53H97NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-36-41-47(57)52(61)54-45(43-62-53-51(60)50(59)49(58)48(42-55)63-53)46(56)40-37-33-35-39-44(3)38-34-31-29-11-9-7-5-2/h13-14,34,37-40,45-51,53,55-60H,4-12,15-33,35-36,41-43H2,1-3H3,(H,54,61)/b14-13-,38-34+,40-37+,44-39+/t45-,46+,47-,48-,49-,50+,51-,53-/m0/s1
InChIKey AGFKRWRLAJDUHQ-SUEAOJJLSA-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 892.354 g/mol
Sample ID 31560
Solvent CD3OD