| SpectraBase Spectrum ID |
LdNqA38AKNw |
| Name |
Methandrostenolone-A (-H2O) TFA I |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
378.180664532 u |
| Formula |
C22H25F3O2 |
| InChI |
InChI=1S/C22H25F3O2/c1-13-4-7-17-16-6-5-14-12-15(27-19(26)22(23,24)25)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 |
YDSBZPAPOREMTN-RDIJVOARSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
378.435 g/mol |
| Nominal Mass |
378 u |
| Quality |
998 |
| Retention Index |
2201 |
| SMILES |
[C@]12([C@@]([C@@]3(C(=CC2)C=C(C=C3)OC(C(F)(F)F)=O)C)(CC[C@]2([C@]1(CC=C2C)[H])C)[H])[H] |
| SPLASH |
splash10-016r-2975000000-e9d40122564ba09b9dfd |
| 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 trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011528 |
