| SpectraBase Spectrum ID |
8GyjI3io5bL |
| Name |
Androstane-3,17-diol, 3-acetate 17-(heptafluorobutanoate), (3.alpha.,5.alpha.,17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.226706680 u |
| Formula |
C25H33F7O4 |
| InChI |
InChI=1S/C25H33F7O4/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/h14-19H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,21-,22-/m0/s1 |
| InChIKey |
LXVDGHMBCRXHST-GRCXZVSFSA-N |
| Molecular Weight |
530.524 g/mol |
| SMILES |
C(C(C(O[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F |
