| SpectraBase Compound ID | ItoIpVPrkDl |
|---|---|
| InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h13,15-16,19-20,22-27,30H,7-12,14,17-18H2,1-6H3/b21-16+/t20-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | PXFMAWYVURCHLC-KWRIAQCCSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sSx0A8Gahc |
|---|---|
| Name | 23-Ethylcholesta-11(12),23(24)-dien-3.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.370516165 u |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h13,15-16,19-20,22-27,30H,7-12,14,17-18H2,1-6H3/b21-16+/t20-,22?,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | PXFMAWYVURCHLC-KWRIAQCCSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)CC[C@]1([C@@]3(CC[C@]([C@@](C\C(=C\C(C)C)CC)(C)[H])([C@@]3(C)C=C[C@]21[H])[H])[H])[H])C)(O)[H] |