| SpectraBase Spectrum ID |
G8hzgM0VE4Z |
| Name |
Androsta-3,5-diene-3,17-diol, 3-acetate 17-(heptafluorobutanoate), (17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.195406551 u |
| Formula |
C25H29F7O4 |
| InChI |
InChI=1S/C25H29F7O4/c1-13(33)35-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(22(17,3)11-9-18(16)21)36-20(34)23(26,27)24(28,29)25(30,31)32/h4,12,16-19H,5-11H2,1-3H3 |
| InChIKey |
JBHAHARCAJQDFI-UHFFFAOYSA-N |
| Molecular Weight |
526.492 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)=O)[H])[H] |
