| SpectraBase Spectrum ID |
EHGmSdbi3V |
| Name |
(20S)-20-(4',4',5',5',6',6',7',7',8',8',9',9',9'-Tridecafluoronon-1'-en-1'-yl)-5.alpha.-pregn-2-en-6-one |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H35F13O |
| InChI |
InChI=1S/C30H35F13O/c1-16(7-6-13-25(31,32)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)43)18-9-10-19-17-15-22(44)21-8-4-5-12-23(21,2)20(17)11-14-24(18,19)3/h4-7,16-21H,8-15H2,1-3H3/b7-6+/t16-,17+,18-,19+,20+,21-,23-,24-/m1/s1 |
| InChIKey |
GDQKGKKLIFRHGF-UTXAOOMPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm900495f |
| Molecular Weight |
658.588 g/mol |
| Optical Rotation |
[a]D20 = +6.4 (c = 0.22, CHCl3) |
| Reported Formula |
C30H35OF13 |
| SMILES |
C=1C[C@]2([C@](CC1)(C(C[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(\C=C\CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[H])[H])[H])C)[H])[H])=O)[H])C |
| SPLASH |
splash10-0a4l-0000009000-9a43db4394dfec13fa0f |
| Source of Spectrum |
AF-52-SM7-9a |
| Thin-Layer Chromatography |
Rf = 0.24 (hexane/EtOAc, 20:1) |
| Wiley ID |
1873624 |
