| SpectraBase Spectrum ID |
2jpYTE8DEAI |
| Name |
Androstane-3,17-diol, 3-acetate 17-(heptafluorobutanoate), (3.beta.,5.alpha.,17.beta.)- |
| CAS Registry Number |
51525-83-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-MDUNAHHLSA-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 |
| SPLASH |
splash10-0aor-0821900000-a14628ef212392ef56a2 |
| Source of Spectrum |
JC-88-279-5 |
| Synonyms |
(3beta,5alpha,17beta)-3-(acetyloxy)androstan-17-yl 2,2,3,3,4,4,4-heptafluorobutanoate
3.beta.-acetoxy-17.beta.-hydroxy-5.alpha.-androstane, 1heptafluorobutyryl derivative |
| Wiley ID |
1403297 |
