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1-O-STEAROYL-2-O-BEHENOYL-3-O-BETA-D-GLUCOPYRANOSYL-RAC-GLYCEROL;DIASTEREOISOMER-1-AND-2
SpectraBase Compound ID DBpPVsbPAFC
InChI InChI=1S/2C49H94O10/c2*1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(52)58-42(41-57-49-48(55)47(54)46(53)43(39-50)59-49)40-56-44(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h2*42-43,46-50,53-55H,3-41H2,1-2H3/t2*42?,43-,46-,47+,48-,49-/m00/s1
InChIKey DTBSEJUQHFJPMZ-UFAWAJEYSA-N
Mol Weight 1686.6 g/mol
Molecular Formula C98H188O20
Exact Mass 1685.369398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tYTrwEOrvy
Name 1-O-STEAROYL-2-O-BEHENOYL-3-O-BETA-D-GLUCOPYRANOSYL-RAC-GLYCEROL;DIASTEREOISOMER-1-AND-2
Compound Number 7J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C98H188O20
InChI InChI=1S/2C49H94O10/c2*1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(52)58-42(41-57-49-48(55)47(54)46(53)43(39-50)59-49)40-56-44(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h2*42-43,46-50,53-55H,3-41H2,1-2H3/t2*42?,43-,46-,47+,48-,49-/m00/s1
InChIKey DTBSEJUQHFJPMZ-UFAWAJEYSA-N
Literature Reference Author W.JANWITAYANUCHIT,K.SUWANBORIRUX,C.PATARAPANICH,S.PUMMANGURA ,V.LIPIPUN,T.VILAIVA
Literature Reference Citation PHYTOCHEM.,64,1253(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.09.008
Molecular Weight 1686.559 g/mol
Solvent CDCl3
Source File Reference UWKP5611