| SpectraBase Compound ID | IZpUiNNPHVI |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-7-8-9-21(16-28(33)19(2)3)20(4)25-12-13-26-24-11-10-22-17-23(32)18-29(34)31(22,6)27(24)14-15-30(25,26)5/h10-11,19-21,23,25-29,32-34H,7-9,12-18H2,1-6H3/t20-,21+,23-,25-,26+,27+,28+,29+,30-,31+/m1/s1 |
| InChIKey | OLXCYJHBHJSPAW-LXUPJOHYSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ArbQ8MA9Lkz |
|---|---|
| Name | (1.alpha.,3.beta.,22S,24S)-22-butylcholesta-5,7-diene-1,3,24-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-7-8-9-21(16-28(33)19(2)3)20(4)25-12-13-26-24-11-10-22-17-23(32)18-29(34)31(22,6)27(24)14-15-30(25,26)5/h10-11,19-21,23,25-29,32-34H,7-9,12-18H2,1-6H3/t20-,21+,23-,25-,26+,27+,28+,29+,30-,31+/m1/s1 |
| InChIKey | OLXCYJHBHJSPAW-LXUPJOHYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm8014348 |
| Molecular Weight | 472.754 g/mol |
| SMILES | O[C@@]1(CC2=CC=C3[C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2([C@](C1)(O)[H])C)[H])C)([C@@]([C@](C[C@](O)(C(C)C)[H])(CCCC)[H])(C)[H])[H])[H])[H] |
| SPLASH | splash10-0a4i-9000500000-0e8df7a8664633df5649 |
| Source of Spectrum | AF-52-1447-30 |
| Wiley ID | 1873724 |