| SpectraBase Compound ID | 7dUWOzgVKCj |
|---|---|
| InChI | InChI=1S/C29H46O/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-29-21(16-20(4)26(29)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25H,4,7-17H2,1-3,5-6H3/t19-,21-,22+,23-,24+,25+,27-,28-,29-/m1/s1 |
| InChIKey | UBQAAUMISAKRMS-OUGRVOQRSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QIZqcTSXdw |
|---|---|
| Name | 4A-METHYLENE-A-BISHOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-ONE |
| Compound Number | 50 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-29-21(16-20(4)26(29)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-25H,4,7-17H2,1-3,5-6H3/t19-,21-,22+,23-,24+,25+,27-,28-,29-/m1/s1 |
| InChIKey | UBQAAUMISAKRMS-OUGRVOQRSA-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 | 410.684 g/mol |
| Sample ID | 39176 |
| Solvent | CDCl3 |