| SpectraBase Compound ID | 6Nfo3JDmMM6 |
|---|---|
| InChI | InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35-37,39-42,44-45,47-49H,3-10,12,14-16,19-34H2,1-2H3,(H,43,46)/b13-11-,18-17-/t35?,36?,37-,39+,40+,41-,42-/m0/s1 |
| InChIKey | MTRQUTJLLSRQLO-GASIDABVSA-N |
| Mol Weight | 726.1 g/mol |
| Molecular Formula | C42H79NO8 |
| Exact Mass | 725.580568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrL3AHy57GA |
|---|---|
| Name | CEREBROSIDE-C |
| Compound Number | 4-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H79NO8 |
| InChI | InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,35-37,39-42,44-45,47-49H,3-10,12,14-16,19-34H2,1-2H3,(H,43,46)/b13-11-,18-17-/t35?,36?,37-,39+,40+,41-,42-/m0/s1 |
| InChIKey | MTRQUTJLLSRQLO-GASIDABVSA-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 | 726.091 g/mol |
| Sample ID | 41789 |
| Solvent | DMSO-D6 |