| SpectraBase Compound ID | BIpF09GJ6Um |
|---|---|
| InChI | InChI=1S/C31H54O/c1-20(2)10-9-11-21(3)24-14-15-25-23-13-12-22-18-28(32)27(29(4,5)6)19-31(22,8)26(23)16-17-30(24,25)7/h20-27H,9-19H2,1-8H3 |
| InChIKey | NOPSUWNQUASERN-UHFFFAOYSA-N |
| Mol Weight | 442.8 g/mol |
| Molecular Formula | C31H54O |
| Exact Mass | 442.417466 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 95MCGZL59TY |
|---|---|
| Name | Cholestan-3-one, 2-(1,1-dimethylethyl)-, (2.beta.,5.alpha.)- |
| CAS Registry Number | 55162-57-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H54O |
| InChI | InChI=1S/C31H54O/c1-20(2)10-9-11-21(3)24-14-15-25-23-13-12-22-18-28(32)27(29(4,5)6)19-31(22,8)26(23)16-17-30(24,25)7/h20-27H,9-19H2,1-8H3 |
| InChIKey | NOPSUWNQUASERN-UHFFFAOYSA-N |
| Molecular Weight | 442.772 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2CC(C(C1)C(C)(C)C)=O |
| SPLASH | splash10-052f-9311000000-a0f2a9baa169f252d757 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 2-tert-Butylcholestan-3-one 2-tert-Butyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 2-tert-Butyl-17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 1385645 |