| SpectraBase Compound ID | In0DE1CbQW |
|---|---|
| InChI | InChI=1S/C34H53BrO3S/c1-22(2)8-7-9-24(4)28-16-17-29-27-15-12-25-20-32(38-39(36,37)26-13-10-23(3)11-14-26)31(35)21-34(25,6)30(27)18-19-33(28,29)5/h10-11,13-14,22,24-25,27-32H,7-9,12,15-21H2,1-6H3/t24-,25+,27+,28-,29+,30+,31+,32+,33-,34+/m1/s1 |
| InChIKey | KDTMFOXQNIRBEI-UAZZBPAMSA-N |
| Mol Weight | 621.8 g/mol |
| Molecular Formula | C34H53BrO3S |
| Exact Mass | 620.28988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LydmSc4hXlT |
|---|---|
| Name | 2-BETA-BROMO-5-ALPHA-CHOLESTAN-3-ALPHA-YL-TOSYLATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H53BrO3S |
| InChI | InChI=1S/C34H53BrO3S/c1-22(2)8-7-9-24(4)28-16-17-29-27-15-12-25-20-32(38-39(36,37)26-13-10-23(3)11-14-26)31(35)21-34(25,6)30(27)18-19-33(28,29)5/h10-11,13-14,22,24-25,27-32H,7-9,12,15-21H2,1-6H3/t24-,25+,27+,28-,29+,30+,31+,32+,33-,34+/m1/s1 |
| InChIKey | KDTMFOXQNIRBEI-UAZZBPAMSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 621.757 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW2672 |