| SpectraBase Compound ID | BDhlRPOEBLH |
|---|---|
| InChI | InChI=1S/C36H56O7/c1-21(20-28(41-22(2)37)31(42-23(3)38)33(7,8)43-24(4)39)25-14-18-36(11)27-12-13-29-32(5,6)30(40)16-17-34(29,9)26(27)15-19-35(25,36)10/h12,21,25-26,28-29,31H,13-20H2,1-11H3/t21-,25-,26-,28+,29-,31+,34+,35-,36+/m0/s1 |
| InChIKey | BHWRPZDFBOUDJP-IYHFMSLWSA-N |
| Mol Weight | 600.8 g/mol |
| Molecular Formula | C36H56O7 |
| Exact Mass | 600.402604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVNXP6EoGfq |
|---|---|
| Name | 3-OXO-THREO-23,24,25-TRIACETOXY-TIRUCALL-7-ENE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O7 |
| InChI | InChI=1S/C36H56O7/c1-21(20-28(41-22(2)37)31(42-23(3)38)33(7,8)43-24(4)39)25-14-18-36(11)27-12-13-29-32(5,6)30(40)16-17-34(29,9)26(27)15-19-35(25,36)10/h12,21,25-26,28-29,31H,13-20H2,1-11H3/t21-,25-,26-,28+,29-,31+,34+,35-,36+/m0/s1 |
| InChIKey | BHWRPZDFBOUDJP-IYHFMSLWSA-N |
| Literature Reference Author | A.M.CAMPOS,F.S.OLIVEIRA,M.I.L.MACHADO,R.BRAZ-FILHO,F.J.A.MAT OS |
| Literature Reference Citation | PHYTOCHEM.,30,1225(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95206-3 |
| Molecular Weight | 600.836 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34226 |