| SpectraBase Compound ID | 4T173akeY0u |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-18-22(19-28(31)32-6)14-16-29(23,4)27(24)15-17-30(25,26)5/h19-21,23-27H,7-18H2,1-6H3/b22-19-/t21-,23+,24?,25-,26?,27+,29+,30-/m1/s1 |
| InChIKey | DXLTXYKVVPXYHF-QWHYQMIFSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D85uzkTl0xv |
|---|---|
| Name | (E)-3-(Acrylic acid)-5.alpha.-cholestane,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-18-22(19-28(31)32-6)14-16-29(23,4)27(24)15-17-30(25,26)5/h19-21,23-27H,7-18H2,1-6H3/b22-19-/t21-,23+,24?,25-,26?,27+,29+,30-/m1/s1 |
| InChIKey | DXLTXYKVVPXYHF-QWHYQMIFSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@]([C@]3(CC2)[H])(CC\C(=C\C(=O)OC)C4)C)[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |