| SpectraBase Compound ID | 5gYjpcq5t6h |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1oAoPRpeMcI |
|---|---|
| Name | Pregnanetriol |
| Comments | (unverified) |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
| SMILES | O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)O)(C)[H] |
| SPLASH | splash10-0a4l-9740000000-e2163c30c692a27a4a32 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |