| SpectraBase Compound ID | KMvJqSSXpzI |
|---|---|
| InChI | InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | PAFPYXSFFACISZ-BOIXCKSDSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uEms5T0zQg |
|---|---|
| Name | 3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3/t18-,19-,20+,21-,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | PAFPYXSFFACISZ-BOIXCKSDSA-N |
| Literature Reference Author | P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER |
| Literature Reference Citation | J.ORG.CHEM.,64,101(1999) |
| Literature Reference DOI | 10.1021/jo9812882 |
| Molecular Weight | 384.646 g/mol |
| Sample ID | 39180 |
| Solvent | CDCl3 |