| SpectraBase Compound ID | 82D1fBnQLI6 |
|---|---|
| InChI | InChI=1S/C28H46O/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/h13,18-23,25H,7-12,14-17H2,1-6H3/t19-,20+,21+,22-,23?,25+,27-,28+/m1/s1 |
| InChIKey | FIXWWYZIYMJTLW-MNANLRSKSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2M13GnTnuLK |
|---|---|
| Name | 4alpha-methylcholest-14-en-3-one |
| CAS Registry Number | 82038-95-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/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/h13,18-23,25H,7-12,14-17H2,1-6H3/t19-,20+,21+,22-,23?,25+,27-,28+/m1/s1 |
| InChIKey | FIXWWYZIYMJTLW-MNANLRSKSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | C1=2[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC2)[H])(CC[C@@]2([C@]3(CCC([C@](C3CC[C@@]12[H])(C)[H])=O)C)[H])C |
| SPLASH | splash10-000i-0291000000-09dbc3e6948d82b68943 |
| Source of Spectrum | W5-1989-33834-31702 |
| Synonyms | (4alpha)-4-methylcholest-14-en-3-one 4.alpha.-methylcholest-14-en-3-one |
| Wiley ID | 1368819 |