| SpectraBase Compound ID | LFbSOruw27w |
|---|---|
| InChI | InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18?,20-,21+,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | KGLIARATBBHHHP-GILBNLLESA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C27H40O2 |
| Exact Mass | 396.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NZBYGV25M5 |
|---|---|
| Name | GELLIUSTEROL-C;CHOLEST-5-EN-23-YN-3-BETA-OL-7-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O2 |
| InChI | InChI=1S/C27H40O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,8-15H2,1-5H3/t18?,20-,21+,22-,23-,25-,26-,27+/m0/s1 |
| InChIKey | KGLIARATBBHHHP-GILBNLLESA-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 | 396.613 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1562 |