![CATACEREBrOSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL](/api/spectrum/KH1gherpSoK/structure.png?h=300&w=458 "CATACEREBrOSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL")
| SpectraBase Compound ID | JhJXhWjLhTN |
|---|---|
| InChI | InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40-,41-,42-,43+,44-,45+,46-,48-/m0/s1 |
| InChIKey | NUBWPJRCBFPJEK-JWAQWEJPSA-N |
| Mol Weight | 844.3 g/mol |
| Molecular Formula | C48H93NO10 |
| Exact Mass | 843.679948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KH1gherpSoK |
|---|---|
| Name | CATACEREBrOSIDE-B;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-OCTADECANE-1,3,4-TRIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H93NO10 |
| InChI | InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40-,41-,42-,43+,44-,45+,46-,48-/m0/s1 |
| InChIKey | NUBWPJRCBFPJEK-JWAQWEJPSA-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 | 844.267 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSP131 |