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PORTULACEREBROSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,8E)-2-[(2'R)-2-HYDROXYLPENTADECANOYLAMINO]-8-OCTADECENE-1,3-DIOL
SpectraBase Compound ID 6Lp1rnaLieP
InChI InChI=1S/C39H75NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,31-37,39,41-46H,3-17,20-30H2,1-2H3,(H,40,47)/b19-18+/t31-,32+,33-,34-,35-,36+,37-,39-/m0/s1
InChIKey UIAKISDPUJRHHR-ZFHFBTMSSA-N
Mol Weight 702.0 g/mol
Molecular Formula C39H75NO9
Exact Mass 701.544183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmwWNuHvGkL
Name PORTULACEREBROSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,8E)-2-[(2'R)-2-HYDROXYLPENTADECANOYLAMINO]-8-OCTADECENE-1,3-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H75NO9
InChI InChI=1S/C39H75NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(42)31(30-48-39-37(46)36(45)35(44)34(29-41)49-39)40-38(47)33(43)28-26-24-22-20-17-14-12-10-8-6-4-2/h18-19,31-37,39,41-46H,3-17,20-30H2,1-2H3,(H,40,47)/b19-18+/t31-,32+,33-,34-,35-,36+,37-,39-/m0/s1
InChIKey UIAKISDPUJRHHR-ZFHFBTMSSA-N
Literature Reference Author X.LEI,J.LI,B.LIU,N.ZHANG,H.LIU
Literature Reference Citation MOLECULES,20,16375(2015)
Literature Reference DOI 10.3390/molecules200916375
Molecular Weight 702.026 g/mol
Solvent C5D5N
Source File Reference UWPA5137