| SpectraBase Compound ID | 9HPcqXCCsDx |
|---|---|
| InChI | InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3 |
| InChIKey | ZMYBKDLUDWAJSA-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 | 8WbXi09dmyh |
|---|---|
| Name | Cholestan-3-one, 14-methyl-, (5.alpha.)- |
| CAS Registry Number | 54411-55-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3 |
| InChIKey | ZMYBKDLUDWAJSA-UHFFFAOYSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | C12(C)C3C(C4(C)C(CC3)CC(CC4)=O)CCC2(C)C(C(CCCC(C)C)C)CC1 |
| SPLASH | splash10-0535-9550000000-7abe37a6f5c44afe7446 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 14-Methylcholestan-3-one 10,13,14-trimethyl-17-(6-methylheptan-2-yl)-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-10,13,14-trimethyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| Wiley ID | 1369792 |