| 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
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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 |