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SUMATRANOSIDE;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2N-[(2'R)-2'-HYDROXY-TETRACOSANOYL]-9Z-OCTADECENE-1,3,4-TRIOL
SpectraBase Compound ID 9Zmv4z3GES4
InChI InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,39-46,48,50-56H,3-24,26,28-38H2,1-2H3,(H,49,57)/b27-25-/t39-,40-,41+,42+,43+,44+,45-,46+,48+/m1/s1
InChIKey AQVPIVKUWUUSPC-STEVQSFCSA-N
Mol Weight 844.3 g/mol
Molecular Formula C48H93NO10
Exact Mass 843.679948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHkAs2gbH99
Name SUMATRANOSIDE;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2N-[(2'R)-2'-HYDROXY-TETRACOSANOYL]-9Z-OCTADECENE-1,3,4-TRIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H93NO10
InChI InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,39-46,48,50-56H,3-24,26,28-38H2,1-2H3,(H,49,57)/b27-25-/t39-,40-,41+,42+,43+,44+,45-,46+,48+/m1/s1
InChIKey AQVPIVKUWUUSPC-STEVQSFCSA-N
Literature Reference Author B.N.SU,B.Y.HWANG,H.CHAI,E.J.CARCACHE-BLANCO,L.B.S.KARDONO,J. J.AFRIASTINI,S.RISWA
Literature Reference Citation J.NAT.PROD.,67,1911(2004)
Literature Reference DOI 10.1021/np040134g
Molecular Weight 844.267 g/mol
Solvent C5D5N
Source File Reference UWMZ6772