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LMC-2-6;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-DOCOSANOYLAMINO]-14-METHYL-HEXADECANE-1,3,4-TRIOL
SpectraBase Compound ID DvnDBp2m0MJ
InChI InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t35?,36-,37-,38-,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey YCNJUALTJHZPNL-ORRCIADUSA-N
Mol Weight 804.2 g/mol
Molecular Formula C45H89NO10
Exact Mass 803.648648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A5XwtwzTq3
Name LMC-2-6;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-DOCOSANOYLAMINO]-14-METHYL-HEXADECANE-1,3,4-TRIOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H89NO10
InChI InChI=1S/C45H89NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-38(49)44(54)46-36(34-55-45-43(53)42(52)41(51)39(33-47)56-45)40(50)37(48)31-28-25-23-20-21-24-27-30-35(3)5-2/h35-43,45,47-53H,4-34H2,1-3H3,(H,46,54)/t35?,36-,37-,38-,39-,40+,41-,42+,43-,45-/m0/s1
InChIKey YCNJUALTJHZPNL-ORRCIADUSA-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 804.202 g/mol
Solvent C5D5N
Source File Reference UWMS6672