![CEREBROSIDE-B(1B);(2S,3R,4E,8Z)-3-HYDROXY-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-1-BETA-GLUCOPYRANOSYLOXY-4,8-OCTADIENE](/api/spectrum/CGB4DRf7phs/structure.png?h=300&w=458 "CEREBROSIDE-B(1B);(2S,3R,4E,8Z)-3-HYDROXY-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-1-BETA-GLUCOPYRANOSYLOXY-4,8-OCTADIENE")
| SpectraBase Compound ID | I0dViq4a0kQ |
|---|---|
| InChI | InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | HOMYIYLRRDTKAA-YXDRAFNWSA-N |
| Mol Weight | 714.0 g/mol |
| Molecular Formula | C40H75NO9 |
| Exact Mass | 713.544183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGB4DRf7phs |
|---|---|
| Name | CEREBROSIDE-B(1B);(2S,3R,4E,8Z)-3-HYDROXY-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-1-BETA-GLUCOPYRANOSYLOXY-4,8-OCTADIENE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H75NO9 |
| InChI | InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34-,35-,36-,37+,38-,40-/m0/s1 |
| InChIKey | HOMYIYLRRDTKAA-YXDRAFNWSA-N |
| Literature Reference Author | H.ACHENBACH,M.LOTTES,R.WAIBEL,G.A.KARIKAS,M.D.CORREA,M.P.GUP TA |
| Literature Reference Citation | PHYTOCHEM.,38,1537(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00823-C |
| Molecular Weight | 714.037 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS4102 |