| SpectraBase Spectrum ID |
JJUu5iDNNNw |
| Name |
Methandrostenolone-A (-H2O) PFP I |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
428.177470858 u |
| Formula |
C23H25F5O2 |
| InChI |
InChI=1S/C23H25F5O2/c1-13-4-7-17-16-6-5-14-12-15(30-19(29)22(24,25)23(26,27)28)8-10-21(14,3)18(16)9-11-20(13,17)2/h4-5,8,10,12,16-18H,6-7,9,11H2,1-3H3/t16-,17-,18-,20+,21-/m0/s1 |
| InChIKey |
FWMOKUCCIAXJHC-RDIJVOARSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
428.443 g/mol |
| Nominal Mass |
428 u |
| Quality |
996 |
| Retention Index |
2166 |
| SMILES |
[C@@]12([C@]([C@]3([C@](CC2)(C(=CC3)C)C)[H])(CC=C2[C@@]1(C=CC(=C2)OC(C(C(F)(F)F)(F)F)=O)C)[H])[H] |
| SPLASH |
splash10-02t9-2927700000-09bb8c01ff61546cebd8 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,3bS,9aR,9bS,11aS)-1,9a,11a-trimethyl-3a,3b,4,9a,9b,10,11,11a-octahydro-3H-cyclopenta\r[a]phenanthren-7-yl 2,2,3,3,3-pentafluoropropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011526 |
