| SpectraBase Compound ID | xfwKrQSgKd |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-27-19(16-29-24(27)28)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 | AKWMDMMFAIWKTC-MXADNQSASA-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 | HSfRIXYzAPQ |
|---|---|
| Name | 4A-OXA-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 13 |
| 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)21-9-10-22-20-15-27-19(16-29-24(27)28)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 | AKWMDMMFAIWKTC-MXADNQSASA-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 | 400.645 g/mol |
| Sample ID | 39148 |
| Solvent | CDCl3 |