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MUCUSOSIDE;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R,12Z)-2-[[(2R)-2-HYDROXYTETRACOSANOYL]-AMINO]-OCTADECA-12-ENE-1,3,4-TRIOL
SpectraBase Compound ID GobIe14xMPE
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/h12,14,39-46,48,50-56H,3-11,13,15-38H2,1-2H3,(H,49,57)/b14-12-/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1
InChIKey XTJVDEHYUUVSBR-IZESDRAASA-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 60nBEiqmdCG
Name MUCUSOSIDE;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R,12Z)-2-[[(2R)-2-HYDROXYTETRACOSANOYL]-AMINO]-OCTADECA-12-ENE-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/h12,14,39-46,48,50-56H,3-11,13,15-38H2,1-2H3,(H,49,57)/b14-12-/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1
InChIKey XTJVDEHYUUVSBR-IZESDRAASA-N
Literature Reference Author J.J.K.BANKEU,S.A.A.MUSTAFA,A.S.GOJAYEV,B.D.LENTA,D.T.NOUGOUE ,S.A.NGOUELA,K.ASAAD
Literature Reference Citation CHEM.PHARM.BULL.,58,1661(2010)
Literature Reference DOI 10.1248/cpb.58.1661
Molecular Weight 844.267 g/mol
Source File Reference UWBT4050