| SpectraBase Compound ID | HxkZD22zTHM |
|---|---|
| InChI | InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,34,36,40-46,48,50-55H,3-25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b28-26+,36-34+/t40?,41?,42?,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | WJKBJBJBUDIMHM-WABSWVOXSA-N |
| Mol Weight | 826.3 g/mol |
| Molecular Formula | C48H91NO9 |
| Exact Mass | 825.669384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9NVEnCSgksE |
|---|---|
| Name | (4E)-1-O-(BETA-D-GLUCOPYRANOSYL)-N-(2'-HYDROXYTETRACOSANOYL)-4,8-SPHINGADIENINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H91NO9 |
| InChI | InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(56)49-40(39-57-48-46(55)45(54)44(53)43(38-50)58-48)41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h26,28,34,36,40-46,48,50-55H,3-25,27,29-33,35,37-39H2,1-2H3,(H,49,56)/b28-26+,36-34+/t40?,41?,42?,43-,44-,45+,46-,48-/m0/s1 |
| InChIKey | WJKBJBJBUDIMHM-WABSWVOXSA-N |
| Literature Reference Author | K.KAINZ,M.ZEHL,J.BLEIER,B.MERKINGER,T.PEMMER,N.SCHMIDT,J.WIN KLER,H.KAEHLIG |
| Literature Reference Citation | REC.NAT.PROD.,8,348(2014) |
| Molecular Weight | 826.252 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR16022 |