| SpectraBase Compound ID | 7LvYLFmbFAw |
|---|---|
| InChI | InChI=1S/C28H44O/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/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24+,27-,28+/m1/s1 |
| InChIKey | DBPZYKHQDWKORQ-PSIAUDTGSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E95Sgw3pWvb |
|---|---|
| Name | Cholesta-8,24-dien-3-one, 4-methyl-, (4.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.339216036 u |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/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/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20-,22-,23?,24+,27-,28+/m1/s1 |
| InChIKey | DBPZYKHQDWKORQ-PSIAUDTGSA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | C=12[C@@]3(C([C@@](C)(C(CC3)=O)[H])CCC1[C@@]1(CC[C@@]([C@]1(CC2)C)([C@@](CCC=C(C)C)(C)[H])[H])[H])C |