| SpectraBase Compound ID | 1ji2tqilyZf |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,20-21,23-29H,8,11-19H2,1-7H3/b10-9+/t21-,23?,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | SNLRWRYYFMQYJK-IQVHBLNNSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DtVlGDrdjY9 |
|---|---|
| Name | 3.beta.-Acetoxy-24.epsilon.-ethyl-5.alpha.-cholest-22-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.396730912 u |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,20-21,23-29H,8,11-19H2,1-7H3/b10-9+/t21-,23?,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | SNLRWRYYFMQYJK-IQVHBLNNSA-N |
| Molecular Weight | 456.755 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)CC[C@]21[H])[H])[H])[H])[H])C)(OC(=O)C)[H] |