| SpectraBase Compound ID | B9I1Vz8IoCA |
|---|---|
| InChI | InChI=1S/C28H44O/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/h7-8,10,14,18-22,24-25,29H,9,11-13,15-17H2,1-6H3/b8-7+/t19?,20-,21+,22+,24-,25+,27+,28-/m1/s1 |
| InChIKey | XSMGJKKUFBTARU-RLASYAHHSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1E0oQQ4PEg |
|---|---|
| Name | 5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-OL |
| Compound Number | 278 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/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/h7-8,10,14,18-22,24-25,29H,9,11-13,15-17H2,1-6H3/b8-7+/t19?,20-,21+,22+,24-,25+,27+,28-/m1/s1 |
| InChIKey | XSMGJKKUFBTARU-RLASYAHHSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 396.657 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW3441 |