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CEREBROSIDE-A
SpectraBase Compound ID 3fVjM4kN0Vl
InChI InChI=1S/C42H75NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22,28,30,34-40,42,44-49H,3-10,12,14-16,18,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b13-11-,19-17-,22-20+,30-28+/t34?,35?,36?,37-,38+,39+,40-,42-/m0/s1
InChIKey ZCAPVXKBKDAPDK-ADOQSYNESA-N
Mol Weight 738.1 g/mol
Molecular Formula C42H75NO9
Exact Mass 737.544183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vIee1XhKnE
Name CEREBROSIDE-A
Compound Number 4-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H75NO9
InChI InChI=1S/C42H75NO9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(50)43-34(33-51-42-40(49)39(48)38(47)37(32-44)52-42)35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,22,28,30,34-40,42,44-49H,3-10,12,14-16,18,21,23-27,29,31-33H2,1-2H3,(H,43,50)/b13-11-,19-17-,22-20+,30-28+/t34?,35?,36?,37-,38+,39+,40-,42-/m0/s1
InChIKey ZCAPVXKBKDAPDK-ADOQSYNESA-N
Literature Reference Author P.L.SELMAIR,P.KOEHLER
Literature Reference Citation J.AGR.FOOD.CHEM.,57,5597(2009)
Literature Reference DOI 10.1021/jf9008982
Molecular Weight 738.059 g/mol
Sample ID 41787
Solvent DMSO-D6