| SpectraBase Compound ID | JgeAIeugNWx |
|---|---|
| InChI | InChI=1S/C28H44S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20-,22?,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | MSPHMBPWDVWSDC-FGZPWCGNSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44S |
| Exact Mass | 412.316373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EXkFulKf5Y5 |
|---|---|
| Name | ERGOSTA-5,7,22-TRIEN-3-THIOL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44S |
| InChI | InChI=1S/C28H44S/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20-,22?,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | MSPHMBPWDVWSDC-FGZPWCGNSA-N |
| Literature Reference Author | Y.S.TSANTRIZOS,P.L.FOLKINS,J.F.BRITTEN,D.N.HARPP,K.K.OGILVIE |
| Literature Reference Citation | CAN.J.CHEM.,70,158(1992) |
| Literature Reference DOI | 10.1139/v92-026 |
| Molecular Weight | 412.717 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP5221 |