| SpectraBase Compound ID | H1oDTyVbYj |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3/t20-,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | HFSRHZOGMOYJSI-KDORWMGUSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDNnvqjW0H6 |
|---|---|
| Name | Cholest-4-en-3-one, 2,2-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h17,19-20,22-25H,8-16,18H2,1-7H3/t20-,22+,23-,24+,25+,28-,29+/m1/s1 |
| InChIKey | HFSRHZOGMOYJSI-KDORWMGUSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12(C(=CC(C(C2)(C)C)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C |