| SpectraBase Spectrum ID |
DmpbjUNzuIy |
| Name |
Mifepristone |
| Classification |
Progestational and glucocorticoid hormone antagonist |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
429.266779369 u |
| Formula |
C29H35NO2 |
| InChI |
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 |
| InChIKey |
VKHAHZOOUSRJNA-GCNJZUOMSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
429.604 g/mol |
| Nominal Mass |
429 u |
| Quality |
822 |
| Retention Index |
3377 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3(C([C@](C2)(C2=CC=C(C=C2)N(C)C)[H])=C2C(CC3)=CC(CC2)=O)[H])(CC1)[H])C)C#CC |
| SPLASH |
splash10-00di-0923000000-238f91231f4707fcebde |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Mifegyne
Mifeprex
(1S,3aS,3bS,10R,11aS)-10-(4-(dimethylamino)phenyl)-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-\r1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012040 |
