| SpectraBase Compound ID | 6yfiBal2i5V |
|---|---|
| InChI | InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-26(5)14-11-19(28)16-27(24,26)23(20)12-13-25(21,22)4/h15,17-19,21-24,28H,6-14,16H2,1-5H3/t18?,19-,21+,22-,23-,24?,25+,26+,27?/m0/s1 |
| InChIKey | FSDVGZVZMAVCHU-URQWTFBNSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IIYLyxA9eqa |
|---|---|
| Name | TOXISTEROL-C1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-26(5)14-11-19(28)16-27(24,26)23(20)12-13-25(21,22)4/h15,17-19,21-24,28H,6-14,16H2,1-5H3/t18?,19-,21+,22-,23-,24?,25+,26+,27?/m0/s1 |
| InChIKey | FSDVGZVZMAVCHU-URQWTFBNSA-N |
| Literature Reference Author | F.BOOMSMA,H.J.C.JACOBS,E.HAVINGA,A.VANDERGEN |
| Literature Reference Citation | REC.TR.CH.P.-B.,96,104(1977) |
| Literature Reference DOI | 10.1002/recl.19770960405 |
| Molecular Weight | 384.646 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED2972 |