| SpectraBase Compound ID | G46az94Mi0D |
|---|---|
| InChI | InChI=1S/C28H50/c1-19(2)8-7-9-21(4)24-12-13-25-23-11-10-22-18-20(3)14-16-27(22,5)26(23)15-17-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1/i20D |
| InChIKey | WMWFPVBOKWFKGW-CJFGSBTQSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C28H492D |
| Exact Mass | 387.397528 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9eeNnEmOqd5 |
|---|---|
| Name | 3-Methyl-3-deuterocholestane |
| CAS Registry Number | 55448-53-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H49D |
| InChI | InChI=1S/C28H50/c1-19(2)8-7-9-21(4)24-12-13-25-23-11-10-22-18-20(3)14-16-27(22,5)26(23)15-17-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23+,24-,25+,26+,27+,28-/m1/s1/i20D |
| InChIKey | WMWFPVBOKWFKGW-CJFGSBTQSA-N |
| Molecular Weight | 387.714 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC(C)([2D])C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00si-0079000000-43e5868c91fbdf3d1156 |
| Source of Spectrum | AD-0-596-0 |
| Wiley ID | 1363222 |