| SpectraBase Spectrum ID |
JHho5t39JtQ |
| Name |
Megestrol acetate |
| CAS Registry Number |
595-33-5 |
| Classification |
Pharmaceutical drug, progestational steroid |
| 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 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
384.230059506 u |
| Formula |
C24H32O4 |
| InChI |
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1 |
| InChIKey |
RQZAXGRLVPAYTJ-GQFGMJRRSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
384.516 g/mol |
| Nominal Mass |
384 u |
| Quality |
981 |
| Retention Index |
3130 |
| SMILES |
[C@]12([C@]3([C@@]([C@@]4(C(C(=C3)C)=CC(CC4)=O)C)(CC[C@@]2([C@](CC1)(C(=O)C)OC(=O)C)C)[H])[H])[H] |
| SPLASH |
splash10-001i-2890000000-7a74d1f0198087da3109 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
17-Acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren\r-17-yl] acetate
6-Methyl-3,20-dioxopregna-4,6-dien-17alpha-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028934 |
