| SpectraBase Compound ID | FVCzpXiMME |
|---|---|
| InChI | InChI=1S/C29H52/c1-19(2)20(3)10-11-22(5)25-14-15-26-23-12-13-24-21(4)9-8-17-28(24,6)27(23)16-18-29(25,26)7/h19-27H,8-18H2,1-7H3 |
| InChIKey | BPZOUHWJXJNACU-UHFFFAOYSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C29H52 |
| Exact Mass | 400.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hSKu3hbBAB |
|---|---|
| Name | 4Beta(H),24-dimethylcholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.406901674 u |
| Formula | C29H52 |
| InChI | InChI=1S/C29H52/c1-19(2)20(3)10-11-22(5)25-14-15-26-23-12-13-24-21(4)9-8-17-28(24,6)27(23)16-18-29(25,26)7/h19-27H,8-18H2,1-7H3 |
| InChIKey | BPZOUHWJXJNACU-UHFFFAOYSA-N |
| Molecular Weight | 400.735 g/mol |
| SMILES | C12(C)C(C(C)CCC2)CCC2C1CCC1(C2CCC1C(C)CCC(C)C(C)C)C |