| SpectraBase Compound ID | G3YlAkD7fX |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-10-23-19-22(9-14-28(31)32)15-17-29(23,4)27(24)16-18-30(25,26)5/h20-27H,6-19H2,1-5H3,(H,31,32)/t21-,22?,23?,24?,25-,26?,27+,29+,30-/m1/s1 |
| InChIKey | WKVMCRBLFPTHNE-RVESRLRWSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2xRAKtjer2 |
|---|---|
| Name | 3-.alpha.,and 3.beta.-(Propionic acid)-5.alpha.-cholestane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-20(2)7-6-8-21(3)25-12-13-26-24-11-10-23-19-22(9-14-28(31)32)15-17-29(23,4)27(24)16-18-30(25,26)5/h20-27H,6-19H2,1-5H3,(H,31,32)/t21-,22?,23?,24?,25-,26?,27+,29+,30-/m1/s1 |
| InChIKey | WKVMCRBLFPTHNE-RVESRLRWSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | OC(CCC1CC[C@@]2([C@]3(CC[C@]4(C(C3CCC2C1)CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)=O |
| SPLASH | splash10-007c-2190300000-eb30c101a69dc9c8a5ed |
| Source of Spectrum | F-50-12641-17 |
| Synonyms | 3-Cholestan-3-ylpropanoic acid |
| Wiley ID | 789980 |