| SpectraBase Compound ID | 9Peibv5zztV |
|---|---|
| InChI | InChI=1S/C39H61NO15/c1-5-6-13-25(3)37(55-36(49)21-28(39(52)53)19-34(46)47)32(54-35(48)20-27(38(50)51)18-33(44)45)17-24(2)12-9-7-8-10-14-29(41)22-31(43)26(4)40-16-11-15-30(42)23-40/h11,15-16,23-29,31-32,37,41,43H,5-10,12-14,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1 |
| InChIKey | UJUDXXXTXOWVKA-UHFFFAOYSA-O |
| Mol Weight | 784.9 g/mol |
| Molecular Formula | C39H62NO15 |
| Exact Mass | 784.411945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vSsdcvSOaC |
|---|---|
| Name | FP2;BIS-(1,2,3-PROPANETRICARBOXYLIC-ACID)-1,1'-[1-(12-(3-HYDROXY-1-PYRIDINYL)-9,11-DIHYDROXY-2-METHYLTRIDECYL)-2-(1-METHYLPENTYL)-1,2-ETHANEDIYL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H62NO15 |
| InChI | InChI=1S/C39H61NO15/c1-5-6-13-25(3)37(55-36(49)21-28(39(52)53)19-34(46)47)32(54-35(48)20-27(38(50)51)18-33(44)45)17-24(2)12-9-7-8-10-14-29(41)22-31(43)26(4)40-16-11-15-30(42)23-40/h11,15-16,23-29,31-32,37,41,43H,5-10,12-14,17-22H2,1-4H3,(H4-,42,44,45,46,47,50,51,52,53)/p+1 |
| InChIKey | UJUDXXXTXOWVKA-UHFFFAOYSA-O |
| Literature Reference Author | S.M.MUSSER,M.L.GAY,E.P.MAZZOLA,R.D.PLATTNER |
| Literature Reference Citation | J.NAT.PROD.,59,970(1996) |
| Literature Reference DOI | 10.1021/np960349t |
| Molecular Weight | 784.919 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP753 |