| SpectraBase Compound ID | FwJ5BYXzcoi |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29)20(4)14-16-28(25,6)24(21)15-17-27(22,23)5/h18-25H,7-17H2,1-6H3 |
| InChIKey | RAXICKGBYUBAEA-UHFFFAOYSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JlN2UR4r4iz |
|---|---|
| Name | 5.alpha.-Cholestan-4-one, 3.beta.-methyl- |
| Alternate Name(s) | 3-Methylcholestan-4-one 17-(1,5-dimethylhexyl)-3,10,13-trimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one 3,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-4-one |
| CAS Registry Number | 2634-54-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-26(29)20(4)14-16-28(25,6)24(21)15-17-27(22,23)5/h18-25H,7-17H2,1-6H3 |
| InChIKey | RAXICKGBYUBAEA-UHFFFAOYSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(=O)C(CC1)C |
| SPLASH | splash10-0f6t-8950200000-6066fef0a90d820ea8b2 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 57212 |