| SpectraBase Compound ID | JxItGiEC7gH |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | JKKYDIZVQGOJLZ-HKPRBTTRSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8B4gsA7wpNj |
|---|---|
| Name | 25-Hydroxy-5.alpha.-cholestan-3.beta.-yl acetate |
| Alternate Name(s) | (3beta,5alpha)-25-hydroxycholestan-3-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(8-7-15-27(3,4)31)24-11-12-25-23-10-9-21-18-22(32-20(2)30)13-16-28(21,5)26(23)14-17-29(24,25)6/h19,21-26,31H,7-18H2,1-6H3/t19-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1 |
| InChIKey | JKKYDIZVQGOJLZ-HKPRBTTRSA-N |
| Molecular Weight | 446.716 g/mol |
| SMILES | OC(CCC[C@]([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(C)[H])(C)C |
| SPLASH | splash10-00kb-9075200000-c6f98b95511954985800 |
| Source of Spectrum | K-2001-2234-26 |
| Wiley ID | 1579689 |