| SpectraBase Spectrum ID |
6atnqOgHgr2 |
| Name |
Chlormadinone acetate |
| CAS Registry Number |
302-22-7 |
| Classification |
Pharmaceutical drug, antiandrogene, gestagen |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.175437110 u |
| Formula |
C23H29ClO4 |
| InChI |
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1 |
| InChIKey |
QMBJSIBWORFWQT-DFXBJWIESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
404.934 g/mol |
| Nominal Mass |
404 u |
| Quality |
965 |
| Retention Index |
3082 |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(C(=C3)Cl)=CC(CC4)=O)C)(CC[C@@]2([C@](CC1)(C(=O)C)OC(=O)C)C)[H])[H])[H] |
| SPLASH |
splash10-0udl-8947000000-58cb34cf8c9c12566462 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
6-Chloro-3,20-dioxopregna-4,6-dien-17alpha-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019279 |
