| SpectraBase Compound ID | KZP7pSaqgsg |
|---|---|
| InChI | InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36-,37-,38+,39-,41-/m0/s1 |
| InChIKey | YBSQGNFRWZKFMJ-JAOITHIWSA-N |
| Mol Weight | 728.1 g/mol |
| Molecular Formula | C41H77NO9 |
| Exact Mass | 727.559833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ae6WrNl3Ju4 |
|---|---|
| Name | (4E,8E,2S,3R,2'R)-N-2'-DIHYDROXYPALMITIC-1-O-BETA-D-GLUCOPYRANOSYL-9-METHYL-4,8-SPHINGADIENINE;CEREBrOSIDE_FROM_FOMITOPSIS_PINICOLA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H77NO9 |
| InChI | InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36-,37-,38+,39-,41-/m0/s1 |
| InChIKey | YBSQGNFRWZKFMJ-JAOITHIWSA-N |
| Literature Reference Author | S.STRIEGLER,E.HASLINGER |
| Literature Reference Citation | MH.CHEM.,127,755(1996) |
| Literature Reference DOI | 10.1007/BF00817267 |
| Molecular Weight | 728.064 g/mol |
| Solvent | CD3OD:PYRIDINE-D5=2:3 |
| Source File Reference | UWMZ145 |