| SpectraBase Spectrum ID |
DCCltzIGz1c |
| Name |
Androstan-3-ol, heptafluorobutanoate, (3.alpha.,5.alpha.)- |
| CAS Registry Number |
60881-89-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H31F7O2 |
| InChI |
InChI=1S/C23H31F7O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)32-18(31)21(24,25)22(26,27)23(28,29)30/h13-17H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,19-,20-/m0/s1 |
| InChIKey |
OPIRXTRZMLJHEL-MCMLKMLFSA-N |
| Molecular Weight |
472.488 g/mol |
| SMILES |
C(C(C(O[C@]1(C[C@@]2(CC[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1(CCC[C@@]31[H])C)[H])[H])[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0a4i-0190500000-5dcc5057218b6b192d65 |
| Source of Spectrum |
AN-85-342-0 |
| Synonyms |
(3alpha,5alpha)-androstan-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
3.alpha.-heptafluorobutanoyloxy (5.alpha.)androstane |
| Wiley ID |
1393277 |
