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RENIEROSIDE_B_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]-9-METHYLOCTADECA-4,8,10-TRIENE-1
SpectraBase Compound ID A36Xj25tFX4
InChI InChI=1S/C51H93NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-34-39-45(55)50(59)52-43(41-60-51-49(58)48(57)47(56)46(40-53)61-51)44(54)38-35-31-33-37-42(3)36-32-29-27-11-9-7-5-2/h15-16,32,35-38,43-49,51,53-58H,4-14,17-31,33-34,39-41H2,1-3H3,(H,52,59)/b16-15-,36-32+,38-35+,42-37+/t43-,44+,45-,46-,47-,48+,49-,51-/m0/s1
InChIKey AQQLKBRQBGXQRR-AKEBVNQUSA-N
Mol Weight 864.3 g/mol
Molecular Formula C51H93NO9
Exact Mass 863.685034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMgCJd3ccjZ
Name RENIEROSIDE_B_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]-9-METHYLOCTADECA-4,8,10-TRIENE-1
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H93NO9
InChI InChI=1S/C51H93NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-34-39-45(55)50(59)52-43(41-60-51-49(58)48(57)47(56)46(40-53)61-51)44(54)38-35-31-33-37-42(3)36-32-29-27-11-9-7-5-2/h15-16,32,35-38,43-49,51,53-58H,4-14,17-31,33-34,39-41H2,1-3H3,(H,52,59)/b16-15-,36-32+,38-35+,42-37+/t43-,44+,45-,46-,47-,48+,49-,51-/m0/s1
InChIKey AQQLKBRQBGXQRR-AKEBVNQUSA-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 864.301 g/mol
Sample ID 31561
Solvent CD3OD