| SpectraBase Spectrum ID |
Gn4lQTS3Ybq |
| Name |
Androsta-3,5-diene-3,17-diol, 17-(heptafluorobutanoate) 3-(trifluoroacetate), (17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
580.167140943 u |
| Formula |
C25H26F10O4 |
| InChI |
InChI=1S/C25H26F10O4/c1-20-9-7-13(38-19(37)23(28,29)30)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-18(36)22(26,27)24(31,32)25(33,34)35/h3,11,14-17H,4-10H2,1-2H3 |
| InChIKey |
JEYCSCXDTOFLCH-UHFFFAOYSA-N |
| Molecular Weight |
580.463 g/mol |
| SMILES |
C[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](OC(C(C(C(F)(F)F)(F)F)(F)F)=O)(CC4)[H])[H])(CC=C2C=C(CC1)OC(C(F)(F)F)=O)[H])[H] |
