John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6MvI4ArtrD4 SpectraBase Spectrum ID=giDaf9PEkk

(accessed ).
LMC-2-3;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-9-DOCOSENE-1,3,4-TRIOL
SpectraBase Compound ID 6MvI4ArtrD4
InChI InChI=1S/C44H85NO10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(47)39(49)35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)45-43(53)37(48)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h22-23,35-42,44,46-52H,3-21,24-34H2,1-2H3,(H,45,53)/b23-22-/t35-,36-,37-,38-,39+,40-,41+,42-,44-/m0/s1
InChIKey KNECUDKPEXKDOZ-LLAGIRRRSA-N
Mol Weight 788.2 g/mol
Molecular Formula C44H85NO10
Exact Mass 787.617349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID giDaf9PEkk
Name LMC-2-3;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-9-DOCOSENE-1,3,4-TRIOL
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H85NO10
InChI InChI=1S/C44H85NO10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-36(47)39(49)35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)45-43(53)37(48)32-30-28-26-24-21-16-14-12-10-8-6-4-2/h22-23,35-42,44,46-52H,3-21,24-34H2,1-2H3,(H,45,53)/b23-22-/t35-,36-,37-,38-,39+,40-,41+,42-,44-/m0/s1
InChIKey KNECUDKPEXKDOZ-LLAGIRRRSA-N
Literature Reference Author S.KAWATAKE,K.NAKAMURA,M.INAGAKI,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,50,1091(2002)
Literature Reference DOI 10.1248/cpb.50.1091
Molecular Weight 788.160 g/mol
Solvent C5D5N
Source File Reference UWMS6670
SpectraBase Batch ID CZIjtRHaYPa