| SpectraBase Compound ID | LpTo5Vdsc08 |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12-13,18-21,23-24,29-30H,9-11,14-17H2,1-6H3/b8-7+/t19?,20-,21+,23-,24+,26-,27-,28-/m1/s1 |
| InChIKey | HOOMGUJMPWJJFF-BVZSLOQLSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHqcj53jGoG |
|---|---|
| Name | 5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-5-DIOL |
| Compound Number | 280 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12-13,18-21,23-24,29-30H,9-11,14-17H2,1-6H3/b8-7+/t19?,20-,21+,23-,24+,26-,27-,28-/m1/s1 |
| InChIKey | HOOMGUJMPWJJFF-BVZSLOQLSA-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 | 412.656 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW3443 |