| SpectraBase Compound ID | 5OdgmwOaGhk |
|---|---|
| InChI | InChI=1S/C33H52O4/c1-21(11-10-12-22(2)29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-23(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h12-13,21,24-25,27-28H,10-11,14-20H2,1-9H3/b22-12-/t21-,24-,25-,27-,28+,31+,32-,33+/m0/s1 |
| InChIKey | OHTOKSVGEBKYIA-JDUHSCKFSA-N |
| Mol Weight | 512.8 g/mol |
| Molecular Formula | C33H52O4 |
| Exact Mass | 512.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nMsmVxgHKM |
|---|---|
| Name | METHYL-3-ALPHA-ACETOXY-TIRUCALLA-(7,24Z)-DIEN-27-OATE |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O4 |
| InChI | InChI=1S/C33H52O4/c1-21(11-10-12-22(2)29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-23(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h12-13,21,24-25,27-28H,10-11,14-20H2,1-9H3/b22-12-/t21-,24-,25-,27-,28+,31+,32-,33+/m0/s1 |
| InChIKey | OHTOKSVGEBKYIA-JDUHSCKFSA-N |
| Literature Reference Author | R.R.MORAIS,T.A.D.COSTA-SILVA,A.G.TEMPONE,S.E.T.BORBOREMA,M.T .SCOTTI,R.M.F.D.SOUS |
| Literature Reference Citation | MOLECULES,19,5761(2014) |
| Literature Reference DOI | 10.3390/molecules19055761 |
| Molecular Weight | 512.773 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR14435 |