| SpectraBase Compound ID | JRgk28ekYdA |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-22(12-9-13-23(2)16-19-27(31)29(6,7)32)14-10-15-25-24(3)17-18-26-28(4,5)20-11-21-30(25,26)8/h13-14,25-27,31-32H,3,9-12,15-21H2,1-2,4-8H3/b22-14+,23-13+/t25-,26-,27-,30+/m0/s1 |
| InChIKey | GIBVBRQSVUQICJ-VTGGZMTASA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9TecENffYp |
|---|---|
| Name | Product 31 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-22(12-9-13-23(2)16-19-27(31)29(6,7)32)14-10-15-25-24(3)17-18-26-28(4,5)20-11-21-30(25,26)8/h13-14,25-27,31-32H,3,9-12,15-21H2,1-2,4-8H3/b22-14+,23-13+/t25-,26-,27-,30+/m0/s1 |
| InChIKey | GIBVBRQSVUQICJ-VTGGZMTASA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | [C@@]12([C@](C(CCC2)(C)C)(CCC([C@@]1(CC\C=C\(CC\C=C\(CC[C@@](C(O)(C)C)(O)[H])C)C)[H])=C)[H])C |