| SpectraBase Compound ID | 1ubDxX0hsYa |
|---|---|
| InChI | InChI=1S/C29H47BrO/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26-29(31-26)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,18-26H,7,10-17H2,1-6H3/b9-8+/t19-,20-,21-,22+,23-,24+,25+,26-,27?,28?,29-/m1/s1 |
| InChIKey | DHSCZKZRGXCQBQ-BEIXLTMPSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C29H47BrO |
| Exact Mass | 490.281029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14nObyWQMwj |
|---|---|
| Name | 3-ALPHA-BROMO-5-BETA,6-BETA-EPOXY-STIGMAST-22-ENE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H47BrO |
| InChI | InChI=1S/C29H47BrO/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26-29(31-26)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h8-9,18-26H,7,10-17H2,1-6H3/b9-8+/t19-,20-,21-,22+,23-,24+,25+,26-,27?,28?,29-/m1/s1 |
| InChIKey | DHSCZKZRGXCQBQ-BEIXLTMPSA-N |
| Literature Reference Author | O.M.T.CENTURION,L.R.GALAGOVSKY,E.G.GROS |
| Literature Reference Citation | STEROIDS,60,434(1995) |
| Literature Reference DOI | 10.1016/0039-128x(95)00032-l |
| Molecular Weight | 491.596 g/mol |
| Source File Reference | UWLU73833 |