| SpectraBase Spectrum ID |
5KpRkyKveUY |
| Name |
Androstane-3,17-diol, 17-acetate 3-(heptafluorobutanoate), (3.beta.,5.alpha.,17.beta.)- |
| CAS Registry Number |
51525-76-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H33F7O4 |
| InChI |
InChI=1S/C25H33F7O4/c1-13(33)35-19-7-6-17-16-5-4-14-12-15(8-10-21(14,2)18(16)9-11-22(17,19)3)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 |
LZTFRYJFKOPKOO-MDUNAHHLSA-N |
| Molecular Weight |
530.524 g/mol |
| SMILES |
C(C(C(O[C@@]1(C[C@@]2(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]2(CC1)C)[H])C)(OC(=O)C)[H])[H])[H])[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0592-0910400000-56bbd2aa3f4434924191 |
| Source of Spectrum |
JC-88-279-5 |
| Synonyms |
(3beta,5alpha,17beta)-17-(acetyloxy)androstan-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
3.beta.-hydroxy-17.beta.-acetoxy-5.alpha.-androstane, 1heptafluorobutyryl derivative |
| Wiley ID |
1403296 |
