![1-Deuteriocholestano[3,2-c]isoxazole](/api/spectrum/HVLRRFzccNu/structure.png?h=300&w=458 "1-Deuteriocholestano[3,2-c]isoxazole")
| SpectraBase Compound ID | 75C2OFsmNW8 |
|---|---|
| InChI | InChI=1S/C27H45NO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25-24(16-29-28-25)27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+/m1/s1/i16D/t16-,18-,19?,20+,21-,22+,23+,24?,26-,27+ |
| InChIKey | LABDWIXEOKOAKJ-AITSGVFESA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C27H44DNO |
| Exact Mass | 400.356392 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HVLRRFzccNu |
|---|---|
| Name | 1-Deuteriocholestano[3,2-c]isoxazole |
| Alternate Name(s) | Monodeuteriocholestano[3,2-c]isoxazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44DNO |
| InChI | InChI=1S/C27H45NO/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-25-24(16-29-28-25)27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19?,20+,21-,22+,23+,24?,26-,27+/m1/s1/i16D/t16-,18-,19?,20+,21-,22+,23+,24?,26-,27+ |
| InChIKey | LABDWIXEOKOAKJ-AITSGVFESA-N |
| Molecular Weight | 400.669 g/mol |
| SMILES | [C@@]12(C3C(=NO[C@@]3([D])[H])CC1CC[C@]1([C@@]3(CC[C@@]([C@]3(CC[C@]21[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C |
| SPLASH | splash10-0udi-0004900000-35a04829c8bdf4d59b22 |
| Source of Spectrum | KC-1992-431-17 |
| Wiley ID | 776130 |