| SpectraBase Compound ID | DesyEJ6wTT1 |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3 |
| InChIKey | CMDFMNRXDJEXBA-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 | 83WFhuTtvb |
|---|---|
| Name | Cholestan-3-one, 4-methyl-, (4.alpha.,5.alpha.)- |
| CAS Registry Number | 984-87-2 |
| 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)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-25H,7-17H2,1-6H3 |
| InChIKey | CMDFMNRXDJEXBA-UHFFFAOYSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | C12(C3C(C4CCC(C4(CC3)C)C(CCCC(C)C)C)CCC2C(C)C(CC1)=O)C |
| SPLASH | splash10-052g-9320000000-99cb37ab9e4fac29dd2b |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 4-Methylcholestan-3-one 17-(1,5-dimethylhexyl)-4,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 4,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 4.alpha.-Methyl-5-.alpha.-cholestane-3-one 5.alpha.-Cholestan-3-one, 4.alpha.-methyl- Cholestan-3-one, 4-methyl- Cholestan-3-one, 4-methyl-, (5.alpha.)- |
| Wiley ID | 1369780 |