| SpectraBase Spectrum ID |
DnchTAydTIe |
| Name |
3-beta-Etiocholanolone TFA |
| CAS Registry Number |
3959-78-2 |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
386.206879280 u |
| Formula |
C21H29F3O3 |
| InChI |
InChI=1S/C21H29F3O3/c1-19-9-7-13(27-18(26)21(22,23)24)11-12(19)3-4-14-15-5-6-17(25)20(15,2)10-8-16(14)19/h12-16H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,19+,20+/m1/s1 |
| InChIKey |
NTPCFTHVUCOBOX-ROGQGFJNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
386.455 g/mol |
| Nominal Mass |
386 u |
| Quality |
938 |
| Retention Index |
3010 |
| SMILES |
[C@]12([C@@]([C@@]3([C@](CC2)(C[C@](CC3)(OC(C(F)(F)F)=O)[H])[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H] |
| SPLASH |
splash10-000f-6957000000-1fbf2509aa3424f6276c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3beta-Etiocholanolone TFA
3beta-[(Trifluoroacetyl)oxy]-5alpha-androstan-17-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004791 |
