| SpectraBase Compound ID | ETIC0q6o8gy |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,15-16,18-23,28H,7,9-14,17H2,1-5H3/b8-6+/t19?,20-,21?,22?,23?,24+,25+,26+,27-/m0/s1 |
| InChIKey | WISOACODKWCRQK-AILADKGUSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JiVxNlGFnDT |
|---|---|
| Name | 5-ALPHA,8-ALPHA-EPIDIOXYCHOLESTA-6,22-DIEN-3-BETA-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,15-16,18-23,28H,7,9-14,17H2,1-5H3/b8-6+/t19?,20-,21?,22?,23?,24+,25+,26+,27-/m0/s1 |
| InChIKey | WISOACODKWCRQK-AILADKGUSA-N |
| Literature Reference Author | A.GAUVIN,J.SMADJA,M.AKNIN,R.FAURE,E.M.GAYDOU |
| Literature Reference Citation | CAN.J.CHEM.,78,986(2000) |
| Literature Reference DOI | 10.1139/cjc-78-7-986 |
| Molecular Weight | 414.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI570 |