IUPAC Name: | [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-bromopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-tert-butyl-dimethylsilane |
Description: | (3b)-24-Bromo-3-[(tert-butyl)dimethylsilyloxy]-chol-5-ene is a reactant used in the preparation of series of cholesterol side-chain analogs used in studies of the ω-regiospecificity of Mycobacterium tuberculosis cholesterol metabolizing cytochrome P 450 enzymes CYP124A1, CYP125A1 and CYP142A1. |
Molecular Weight: | 537.73 |
Molecular Formula: | C30H53BrOSi |
Canonical SMILES: | CC(CCCBr)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C |
InChI: | InChI=1S/C30H53BrOSi/c1-21(10-9-19-31)25-13-14-26-24-12-11-22-20-23(32-33(7,8)28(2,3)4)15-17-29(22,5)27(24)16-18-30(25,26)6/h11,21,23-27H,9-10,12-20H2,1-8H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1 |
InChI Key: | GRPMVEFKZYTBJO-NXUCFJMCSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | White Solid |
References: | Johnston, J. et al. Bioorg. Med. Chem., 20, 4064 (2012). |
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