| SpectraBase Spectrum ID |
FKTzDxfj9yu |
| Name |
Androsta-3,5-diene-3,17-diol, 17-(chloroacetate) 3-(heptafluorobutanoate), (17.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
560.156434219 u |
| Formula |
C25H28ClF7O4 |
| InChI |
InChI=1S/C25H28ClF7O4/c1-21-9-7-14(36-20(35)23(27,28)24(29,30)25(31,32)33)11-13(21)3-4-15-16-5-6-18(37-19(34)12-26)22(16,2)10-8-17(15)21/h3,11,15-18H,4-10,12H2,1-2H3/t15-,16-,17-,18-,21-,22-/m0/s1 |
| InChIKey |
JGHFCGPVZSVCFX-CSOYKPOESA-N |
| Molecular Weight |
560.937 g/mol |
| SMILES |
C(C(C(OC1=CC2=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(OC(=O)CCl)[H])[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
