| SpectraBase Compound ID | 6mrDwriKYNM |
|---|---|
| InChI | InChI=1S/C29H46/c1-20(2)10-8-11-21(3)23-13-14-24-22-12-15-26-27(4,5)17-9-18-29(26,7)25(22)16-19-28(23,24)6/h8,10-12,15,21-26H,9,13-14,16-19H2,1-7H3/b11-8+/t21-,22+,23-,24+,25+,26?,28-,29-/m1/s1 |
| InChIKey | IANLXTCQEJTTSC-HNXZORSESA-N |
| Mol Weight | 394.7 g/mol |
| Molecular Formula | C29H46 |
| Exact Mass | 394.359951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEWp3Ssdmwl |
|---|---|
| Name | Cholesta-6,22,24-triene, 4,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.359951481 u |
| Formula | C29H46 |
| InChI | InChI=1S/C29H46/c1-20(2)10-8-11-21(3)23-13-14-24-22-12-15-26-27(4,5)17-9-18-29(26,7)25(22)16-19-28(23,24)6/h8,10-12,15,21-26H,9,13-14,16-19H2,1-7H3/b11-8+/t21-,22+,23-,24+,25+,26?,28-,29-/m1/s1 |
| InChIKey | IANLXTCQEJTTSC-HNXZORSESA-N |
| Molecular Weight | 394.687 g/mol |
| SMILES | C1CC[C@]2(C(C1(C)C)C=C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\C=C(C)C)(C)[H])[H])[H])C)[H])[H])C |