| SpectraBase Compound ID | 7UDiMM1UOcj |
|---|---|
| InChI | InChI=1S/C40H64O2/c1-10-11-12-13-14-15-16-20-36(41)42-35-25-26-38(7)32-24-28-39(8)31(30(4)19-17-18-29(2)3)23-27-40(39,9)33(32)21-22-34(38)37(35,5)6/h14-16,18,20-21,30-32,34-35H,10-13,17,19,22-28H2,1-9H3/b15-14+,20-16+/t30-,31-,32-,34-,35-,38+,39-,40+/m0/s1 |
| InChIKey | LVAWHVQSZABIAT-GIIREKLGSA-N |
| Mol Weight | 577.0 g/mol |
| Molecular Formula | C40H64O2 |
| Exact Mass | 576.490631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6kX6hYcND32 |
|---|---|
| Name | TIRUCALLA-7,24-DIEN-3-BETA-YL_2'-E,4'-E-DECADIENOATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O2 |
| InChI | InChI=1S/C40H64O2/c1-10-11-12-13-14-15-16-20-36(41)42-35-25-26-38(7)32-24-28-39(8)31(30(4)19-17-18-29(2)3)23-27-40(39,9)33(32)21-22-34(38)37(35,5)6/h14-16,18,20-21,30-32,34-35H,10-13,17,19,22-28H2,1-9H3/b15-14+,20-16+/t30-,31-,32-,34-,35-,38+,39-,40+/m0/s1 |
| InChIKey | LVAWHVQSZABIAT-GIIREKLGSA-N |
| Literature Reference Author | H.HABA,C.LAVAUD,A.A.MAGID,M.BENKHALED |
| Literature Reference Citation | J.NAT.PROD.,72,1258(2009) |
| Literature Reference DOI | 10.1021/np900127j |
| Molecular Weight | 576.947 g/mol |
| Sample ID | 33176 |
| Solvent | CDCl3 |