| SpectraBase Compound ID | CYVx6hoRLsT |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22?,23?,25?,26-,27+/m0/s1 |
| InChIKey | YIKKMWSQVKJCOP-PGRGVILGSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hZKyS93jcQ |
|---|---|
| Name | 7-OXO-CHOLESTEROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22?,23?,25?,26-,27+/m0/s1 |
| InChIKey | YIKKMWSQVKJCOP-PGRGVILGSA-N |
| Literature Reference Author | V.U.AHMAD,A.H.MEMON,M.S.ALI,S.PERVEEN,M.SHAMEEL |
| Literature Reference Citation | PHYTOCHEM.,42,1141(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00027-1 |
| Molecular Weight | 400.645 g/mol |
| Solvent | CDCl3 |