| SpectraBase Compound ID | 7BQ3tYrsvYE |
|---|---|
| InChI | InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1 |
| InChIKey | VWAUPFMBXBWEQY-ANULTFPQSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6e4T8iP7Avx |
|---|---|
| Name | Altrenogest |
| CAS Registry Number | 850-52-2 |
| Classification | Gestagen |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 310.193280075 u |
| Formula | C21H26O2 |
| InChI | InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3/t18-,19+,20+,21+/m1/s1 |
| InChIKey | VWAUPFMBXBWEQY-ANULTFPQSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 310.437 g/mol |
| Nominal Mass | 310 u |
| Quality | 986 |
| Retention Index | 2436 |
| SMILES | O[C@@]1([C@@]2([C@]([C@]3(C(=C4C(CC3)=CC(CC4)=O)C=C2)[H])(CC1)[H])C)CC=C |
| SPLASH | splash10-03fr-2960000000-087b3dab75c3ee0f3e80 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | Altrenogestum 17alpha-Allyl-17-hydroxy-4,9,11-estratrien-3-one |
| Technique | GC/MS |
| Wiley ID | DD2024_012058 |