| SpectraBase Compound ID | GP91yv07rvH |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| InChIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl5StAS39Dw |
|---|---|
| Name | ERGOSTEROL-PEROXIDE;5-ALPHA,8-ALPHA-EPIDIOXY-ERGOSTA-6,22-DIEN-3-BETA-OL |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1 |
| InChIKey | VXOZCESVZIRHCJ-KGHQQZOUSA-N |
| Literature Reference Author | R.MIOSO,F.J.T.MARANTE,I.H.B.D.LAGUNA,J.E.G.GONZALEZ,J.J.S.RO DRIGUEZ |
| Literature Reference Citation | QUIM.NOVA,37,260(2014) |
| Molecular Weight | 428.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR11901 |