| SpectraBase Compound ID | 1cQwipxsYig |
|---|---|
| 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/t19-,20+,21+,22-,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | CMDFMNRXDJEXBA-DCBZVONASA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8IJiYeeonKQ |
|---|---|
| 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/t19-,20+,21+,22-,23+,24+,25+,27-,28+/m1/s1 |
| InChIKey | CMDFMNRXDJEXBA-DCBZVONASA-N |
| Molecular Weight | 400.691 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@](C)(C(CC1)=O)[H])[H])[H])C |
| SPLASH | splash10-0002-1290200000-dfbd360fffdf6edfb616 |
| Source of Spectrum | F-50-12638-4 |
| 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.)- (4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-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 | 789999 |