| SpectraBase Compound ID | GxnjZyN7J7f |
|---|---|
| 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-PSLZZJNYSA-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 | 7y3gi5MoHKr |
|---|---|
| Name | SOYACEREBROSIDE-I;1-O-BETA-D-GLUCOPYRANOSYL-2-N-2'S-HYDROXY-PALMITOYL-2S,3R,4E,8E-OCTADECASPHINGADIENINE |
| Compound Number | 3 |
| 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-PSLZZJNYSA-N |
| Literature Reference Author | L.VOUTQUENNE,C.LAVAUD,G.MASSIOT,T.SEVENET,H.A.HADI |
| Literature Reference Citation | PHYTOCHEM.,50,63(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00483-X |
| Molecular Weight | 714.037 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11120 |