| SpectraBase Spectrum ID |
7xAma0BiPsN |
| Name |
(20S)-20-Ethenyl-5.alpha.-pregn-2-en-6-one |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H34O |
| InChI |
InChI=1S/C23H34O/c1-5-15(2)17-9-10-18-16-14-21(24)20-8-6-7-12-22(20,3)19(16)11-13-23(17,18)4/h5-7,15-20H,1,8-14H2,2-4H3/t15-,16+,17-,18+,19+,20-,22-,23-/m1/s1 |
| InChIKey |
PQWXMYWCOWGOIM-VTAKWGFLSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm900495f |
| Molecular Weight |
326.524 g/mol |
| Optical Rotation |
[a]D20 = +14.7 (c = 0.20, CHCl3) |
| Reported Formula |
C23H34O |
| 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)[H])[H])[H])C)[H])[H])=O)[H])C |
| SPLASH |
splash10-01t9-0119000000-7edcbb6c1c415e64d1e2 |
| Source of Spectrum |
AF-52-SM5-7 |
| Thin-Layer Chromatography |
Rf = 0.29 (hexane/EtOAc, 20:1) |
| Wiley ID |
1873623 |
