| SpectraBase Compound ID | GjRpZ2KuPQx |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)8-6-9-20(4)22-11-13-24-26(22,5)15-7-16-27(24)17-14-21-19(3)10-12-23(28)25(21)27/h14,17-18,20,22-25,28H,6-13,15-16H2,1-5H3/t20?,22-,23+,24-,25+,26-,27+/m1/s1 |
| InChIKey | JQYRWJOJTBZYGR-JMVLLFBOSA-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 | ITC8jxwmMtg |
|---|---|
| Name | TOXISTEROL-A1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)8-6-9-20(4)22-11-13-24-26(22,5)15-7-16-27(24)17-14-21-19(3)10-12-23(28)25(21)27/h14,17-18,20,22-25,28H,6-13,15-16H2,1-5H3/t20?,22-,23+,24-,25+,26-,27+/m1/s1 |
| InChIKey | JQYRWJOJTBZYGR-JMVLLFBOSA-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 | UWED2970 |