| SpectraBase Compound ID | Cz3J8qPjHCV |
|---|---|
| InChI | InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19-,29-27+/t33?,34?,35-,37-,38+,39-,40-/m0/s1 |
| InChIKey | VCLOTRNDBUPTQD-YWMWMTOLSA-N |
| Mol Weight | 698.0 g/mol |
| Molecular Formula | C40H75NO8 |
| Exact Mass | 697.549268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2S07pS4RrEU |
|---|---|
| Name | 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-N-PALMITOYLOCTADECASPHINGA-4,8-DIENINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H75NO8 |
| InChI | InChI=1S/C40H75NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,27,29,33-35,37-40,42-43,45-47H,3-18,20,22-26,28,30-32H2,1-2H3,(H,41,44)/b21-19-,29-27+/t33?,34?,35-,37-,38+,39-,40-/m0/s1 |
| InChIKey | VCLOTRNDBUPTQD-YWMWMTOLSA-N |
| Literature Reference Author | S.Y.KIM,Y.-H.CHOI,H.HUH,J.KIM,Y.C.KIM,H.S.LEE |
| Literature Reference Citation | J.NAT.PROD.,60,274(1997) |
| Literature Reference DOI | 10.1021/np960670b |
| Molecular Weight | 698.037 g/mol |
| Solvent | CDCl3:CD3OD=2:1 |
| Source File Reference | UWKP69 |