| SpectraBase Compound ID | IgTqnveW6v4 |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,7-11,13-15H2,1-5H3/t17?,19-,20+,21-,22-,24-,26-,27+/m0/s1 |
| InChIKey | JQKVYCFGMHRVRG-UUOFRPCVSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtLjZmvRZsQ |
|---|---|
| Name | GELLIUSTEROL-D;CHOLEST-5-EN-23-YN-3-BETA,25-DIOL-7-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-22,24,28,30H,7-11,13-15H2,1-5H3/t17?,19-,20+,21-,22-,24-,26-,27+/m0/s1 |
| InChIKey | JQKVYCFGMHRVRG-UUOFRPCVSA-N |
| Literature Reference Author | W.A.GALLIMORE,M.KELLY,P.J.SCHEUER |
| Literature Reference Citation | J.NAT.PROD.,64,741(2001) |
| Literature Reference DOI | 10.1021/np000585a |
| Molecular Weight | 412.613 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1563 |