| SpectraBase Compound ID | BAlnD97SgYy |
|---|---|
| InChI | InChI=1S/C34H44O10/c1-8-9-10-11-12-13-14-15-32-42-27-25-28-31(41-28,18-39-22(6)35)29(40-23(7)36)33(38)24(16-20(4)26(33)37)34(25,44-32)21(5)17-30(27,43-32)19(2)3/h12-16,21,24-25,27-29,38H,2,8-11,17-18H2,1,3-7H3/b13-12+,15-14+/t21-,24-,25-,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1 |
| InChIKey | IGTZVDUPTKTLIM-HYEASASHSA-N |
| Mol Weight | 612.7 g/mol |
| Molecular Formula | C34H44O10 |
| Exact Mass | 612.293448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KMbvYIGZ23 |
|---|---|
| Name | EXCOECARIATOXIN-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H44O10 |
| InChI | InChI=1S/C34H44O10/c1-8-9-10-11-12-13-14-15-32-42-27-25-28-31(41-28,18-39-22(6)35)29(40-23(7)36)33(38)24(16-20(4)26(33)37)34(25,44-32)21(5)17-30(27,43-32)19(2)3/h12-16,21,24-25,27-29,38H,2,8-11,17-18H2,1,3-7H3/b13-12+,15-14+/t21-,24-,25-,27-,28+,29-,30-,31+,32+,33-,34+/m1/s1 |
| InChIKey | IGTZVDUPTKTLIM-HYEASASHSA-N |
| Literature Reference Author | R.G.POWELL,D.WEISLEDER,C.R.SMITH |
| Literature Reference Citation | J.NAT.PROD.,48,102(1985) |
| Literature Reference DOI | 10.1021/np50037a018 |
| Molecular Weight | 612.717 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3574 |