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(2-S,3-S,4-R,8-Z)-1-O-(BETA-D-GALACTOPYRANOSYL)-2-N-[(2'-R)-2'-HYDROXY-19'-(Z)-PENTACOSANOILAMINO]-8-(Z)-OCTADECENE-1,3,4-TRIOL

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(2-S,3-S,4-R,8-Z)-1-O-(BETA-D-GALACTOPYRANOSYL)-2-N-[(2'-R)-2'-HYDROXY-19'-(Z)-PENTACOSANOILAMINO]-8-(Z)-OCTADECENE-1,3,4-TRIOL
SpectraBase Compound ID Bd04dIAbPcd
InChI InChI=1S/C49H95NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(53)48(58)50-40(39-59-49-47(57)46(56)45(55)43(38-51)60-49)44(54)41(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h28,30,40-47,49,51-57H,3-27,29,31-39H2,1-2H3,(H,50,58)/b30-28+
InChIKey JPDBHJZMCPAOTJ-SJCQXOIGSA-N
Mol Weight 858.3 g/mol
Molecular Formula C49H95NO10
Exact Mass 857.695598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HbDH0Wm7kk7
Name (2-S,3-S,4-R,8-Z)-1-O-(BETA-D-GALACTOPYRANOSYL)-2-N-[(2'-R)-2'-HYDROXY-19'-(Z)-PENTACOSANOILAMINO]-8-(Z)-OCTADECENE-1,3,4-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H95NO10
InChI InChI=1S/C49H95NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(53)48(58)50-40(39-59-49-47(57)46(56)45(55)43(38-51)60-49)44(54)41(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h28,30,40-47,49,51-57H,3-27,29,31-39H2,1-2H3,(H,50,58)/b30-28+
InChIKey JPDBHJZMCPAOTJ-SJCQXOIGSA-N
Literature Reference Author F.CATENI,J.ZILIC,M.ZACCHIGNA,G.PROCIDA
Literature Reference Citation FITOTERAPIA,81,97(2010)
Literature Reference DOI 10.1016/j.fitote.2009.08.022
Molecular Weight 858.294 g/mol
Solvent C5D5N
Source File Reference UWMZ47730