![CATACEREBrOSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(17'Z),2',3'-DIHYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL](/api/spectrum/ByZ3zj6aCC6/structure.png?h=300&w=458 "CATACEREBrOSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(17'Z),2',3'-DIHYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL")
| SpectraBase Compound ID | AN13KtAJhqf |
|---|---|
| InChI | InChI=1S/C48H93NO11/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(52)43(54)47(58)49-38(37-59-48-46(57)45(56)44(55)41(36-50)60-48)42(53)39(51)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,38-46,48,50-57H,3-12,14,16-37H2,1-2H3,(H,49,58)/b15-13-/t38-,39-,40?,41-,42+,43?,44-,45+,46-,48-/m0/s1 |
| InChIKey | IUDRSGVTSFBWPF-JANSQONUSA-N |
| Mol Weight | 860.3 g/mol |
| Molecular Formula | C48H93NO11 |
| Exact Mass | 859.674863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByZ3zj6aCC6 |
|---|---|
| Name | CATACEREBrOSIDE-C;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(17'Z),2',3'-DIHYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H93NO11 |
| InChI | InChI=1S/C48H93NO11/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(52)43(54)47(58)49-38(37-59-48-46(57)45(56)44(55)41(36-50)60-48)42(53)39(51)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h13,15,38-46,48,50-57H,3-12,14,16-37H2,1-2H3,(H,49,58)/b15-13-/t38-,39-,40?,41-,42+,43?,44-,45+,46-,48-/m0/s1 |
| InChIKey | IUDRSGVTSFBWPF-JANSQONUSA-N |
| Literature Reference Author | Z.J.ZHAN,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,66,1013(2003) |
| Literature Reference DOI | 10.1021/np030153a |
| Molecular Weight | 860.267 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP132 |