| SpectraBase Compound ID | K5dJrQyn7zu |
|---|---|
| InChI | InChI=1S/C28H48O/c1-19(2)10-9-11-20(3)25-22(29)18-24-27(5)16-13-21-12-7-8-15-26(21,4)23(27)14-17-28(24,25)6/h19-21,23-25H,7-18H2,1-6H3/t20-,21?,23-,24+,25+,26+,27?,28+/m1/s1 |
| InChIKey | AGZGJRXKEQLBMH-BHJLQJLLSA-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 | 1w1bjcK3607 |
|---|---|
| Name | Cholestan-16-one, 8-methyl- |
| Alternate Name(s) | 8-Methylcholestan-16-one |
| CAS Registry Number | 55334-69-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-19(2)10-9-11-20(3)25-22(29)18-24-27(5)16-13-21-12-7-8-15-26(21,4)23(27)14-17-28(24,25)6/h19-21,23-25H,7-18H2,1-6H3/t20-,21?,23-,24+,25+,26+,27?,28+/m1/s1 |
| InChIKey | AGZGJRXKEQLBMH-BHJLQJLLSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | [C@@]12([C@](C3(CCC4[C@]([C@]3(CC2)[H])(C)CCCC4)C)(CC([C@@]1([C@@](CCCC(C)C)(C)[H])[H])=O)[H])C |
| SPLASH | splash10-0ab9-0896000000-e67c251275c9637d9c2c |
| Source of Spectrum | W5-33640-31896-31896 |
| Wiley ID | 1369800 |