| SpectraBase Compound ID | 4aPx4s3oEQE |
|---|---|
| InChI | InChI=1S/C25H36O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-21,23,26H,7-14H2,1-4H3/t16?,18-,19+,20-,21?,23-,24-,25+/m0/s1 |
| InChIKey | HHGLFNRDPUBPSI-QPUJJKNVSA-N |
| Mol Weight | 368.6 g/mol |
| Molecular Formula | C25H36O2 |
| Exact Mass | 368.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHHQgtRc3t3 |
|---|---|
| Name | GELLIUSTEROL-B;26,27-BISNORCHOLEST-5-EN-23-YN-3-BETA-OL-7-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O2 |
| InChI | InChI=1S/C25H36O2/c1-5-6-7-16(2)19-8-9-20-23-21(11-13-25(19,20)4)24(3)12-10-18(26)14-17(24)15-22(23)27/h15-16,18-21,23,26H,7-14H2,1-4H3/t16?,18-,19+,20-,21?,23-,24-,25+/m0/s1 |
| InChIKey | HHGLFNRDPUBPSI-QPUJJKNVSA-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 | 368.560 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1561 |