| SpectraBase Compound ID | HydC3eNsov3 |
|---|---|
| InChI | InChI=1S/C27H45BrO/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/h17-23,25H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1 |
| InChIKey | NIOCRRWZBFJEPT-XWAVZNOASA-N |
| Mol Weight | 465.6 g/mol |
| Molecular Formula | C27H45BrO |
| Exact Mass | 464.265379 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JWKR1zFKJn3 |
|---|---|
| Name | 4.alpha.-Bromo-5.alpha.-cholestan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45BrO |
| InChI | InChI=1S/C27H45BrO/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/h17-23,25H,6-16H2,1-5H3/t18-,19+,20-,21+,22+,23+,25+,26-,27-/m1/s1 |
| InChIKey | NIOCRRWZBFJEPT-XWAVZNOASA-N |
| Molecular Weight | 465.560 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@](Br)(C(CC1)=O)[H])[H])[H])C |
| SPLASH | splash10-03di-0049600000-dd8c128a0c31d0a06ee3 |
| Source of Spectrum | F5-7-2307-11 |
| Synonyms | (4S,5R,8S,9S,10R,13R,14S,17R)-4-bromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one (4S,5R,8S,9S,10R,13R,14S,17R)-4-bromanyl-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1696550 |