| SpectraBase Compound ID | Aqqp7BXDWIB |
|---|---|
| InChI | InChI=1S/C27H47BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-25,29H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27-/m1/s1 |
| InChIKey | AJPFJZIIAPXLQR-JEDGHXOGSA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C27H47BrO |
| Exact Mass | 466.281029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1E2UX5q77Y |
|---|---|
| Name | 4.alpha.-Bromo-5.alpha.-cholestan-3.alpha.-ol |
| Alternate Name(s) | (3R,4S,5R,8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,4S,5R,8S,9S,10R,13R,14S,17R)-4-bromanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H47BrO |
| InChI | InChI=1S/C27H47BrO/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(28)24(29)14-16-27(23,5)22(19)13-15-26(20,21)4/h17-25,29H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27-/m1/s1 |
| InChIKey | AJPFJZIIAPXLQR-JEDGHXOGSA-N |
| Molecular Weight | 467.576 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@@]1(Br)[H])[H])[H])C)[H] |
| SPLASH | splash10-03xr-0019500000-19fb5f66e1e42ddbc0bc |
| Source of Spectrum | F5-7-2307-12 |
| Wiley ID | 1696549 |