| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPAub8fbo7v |
|---|---|
| Name | 3.beta.-Acetoxy-24.epsilon.-ethyl-5.alpha.-cholest-22-ene |
| Alternate Name(s) | 3.beta.-Acetoxy-24-ethyl-5.alpha.-cholest-22-ene (3beta,5alpha,22E)-stigmast-22-en-3-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](\C=C\C(C(C)C)CC)(C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-0095400000-5d179b16bf6e801b4e4f |
| Source of Spectrum | X4-17-423-0 |
| Wiley ID | 1585444 |