![CATACEREBrOSIDE-A;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8E)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL](/api/spectrum/1O22Vfn2ly3/structure.png?h=300&w=458 "CATACEREBrOSIDE-A;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8E)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL")
| SpectraBase Compound ID | DHZIeVcGs7o |
|---|---|
| InChI | InChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h13-14,33,35-36,41-47,49,51-56H,4-12,15-32,34,37-39H2,1-3H3,(H,50,57)/b14-13-,36-33+,40-35+/t41-,42+,43-,44-,45-,46+,47-,49-/m0/s1 |
| InChIKey | VEPQVIJEMBDTHV-RGELVACMSA-N |
| Mol Weight | 838.3 g/mol |
| Molecular Formula | C49H91NO9 |
| Exact Mass | 837.669384 g/mol |
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| SpectraBase Spectrum ID | 1O22Vfn2ly3 |
|---|---|
| Name | CATACEREBrOSIDE-A;1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8E)-2-[(2'R,17'Z)-2'-HYDROXY-17'-TETRACOSENOYLAMINO]-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H91NO9 |
| InChI | InChI=1S/C49H91NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-32-37-43(53)48(57)50-41(39-58-49-47(56)46(55)45(54)44(38-51)59-49)42(52)36-33-29-31-35-40(3)34-30-27-25-11-9-7-5-2/h13-14,33,35-36,41-47,49,51-56H,4-12,15-32,34,37-39H2,1-3H3,(H,50,57)/b14-13-,36-33+,40-35+/t41-,42+,43-,44-,45-,46+,47-,49-/m0/s1 |
| InChIKey | VEPQVIJEMBDTHV-RGELVACMSA-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 | 838.263 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP130 |