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1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYHEXADECANOYLAMINO]-16-METHYL-HEPTADECANE-1,3,4-TRIOL;LLC-2-1
SpectraBase Compound ID 8CevwyFOtY2
InChI InChI=1S/C40H79NO10/c1-4-5-6-7-8-9-10-11-14-18-21-24-27-33(44)39(49)41-31(29-50-40-38(48)37(47)36(46)34(28-42)51-40)35(45)32(43)26-23-20-17-15-12-13-16-19-22-25-30(2)3/h30-38,40,42-48H,4-29H2,1-3H3,(H,41,49)/t31-,32-,33+,34-,35+,36-,37+,38-,40-/m0/s1
InChIKey FQYGQINELNMLPB-DMFACDKCSA-N
Mol Weight 734.1 g/mol
Molecular Formula C40H79NO10
Exact Mass 733.570398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmSrpmnaH9o
Name 1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYHEXADECANOYLAMINO]-16-METHYL-HEPTADECANE-1,3,4-TRIOL;LLC-2-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H79NO10
InChI InChI=1S/C40H79NO10/c1-4-5-6-7-8-9-10-11-14-18-21-24-27-33(44)39(49)41-31(29-50-40-38(48)37(47)36(46)34(28-42)51-40)35(45)32(43)26-23-20-17-15-12-13-16-19-22-25-30(2)3/h30-38,40,42-48H,4-29H2,1-3H3,(H,41,49)/t31-,32-,33+,34-,35+,36-,37+,38-,40-/m0/s1
InChIKey FQYGQINELNMLPB-DMFACDKCSA-N
Literature Reference Author T.MARUTA,T.SAITO,M.INAGAKI,O.SHIBATA,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,53,1255(2005)
Literature Reference DOI 10.1248/cpb.53.1255
Molecular Weight 734.068 g/mol
Sample ID 46154
Solvent C5D5N