| SpectraBase Compound ID | 9zCLdz5rang |
|---|---|
| InChI | InChI=1S/C30H50O/c1-25(2)15-11-18-28(6)21-13-20-27(5)17-9-10-23-30(8,31)24-14-22-29(7)19-12-16-26(3)4/h10,15-17,21-23,31H,9,11-14,18-20,24H2,1-8H3/b23-10+,27-17+,28-21+,29-22+ |
| InChIKey | IYUKNXWZKYIOTF-GHTIYQSLSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzraVRKhOCh |
|---|---|
| Name | 10-Hydroxysqualene-synthesis |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.386166229 u |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/c1-25(2)15-11-18-28(6)21-13-20-27(5)17-9-10-23-30(8,31)24-14-22-29(7)19-12-16-26(3)4/h10,15-17,21-23,31H,9,11-14,18-20,24H2,1-8H3/b23-10+,27-17+,28-21+,29-22+ |
| InChIKey | IYUKNXWZKYIOTF-GHTIYQSLSA-N |
| Molecular Weight | 426.729 g/mol |
| SMILES | C(\C=C\C\C=C\(CC\C=C\(CCC=C(C)C)C)C)(O)(CC\C=C\(CCC=C(C)C)C)C |