| SpectraBase Spectrum ID |
GEbkGKMYJAM |
| Name |
(20S)-6,6-Ethylendioxy-20-ethenyl-5.alpha.-pregn-2-en-6-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O2 |
| InChI |
InChI=1S/C25H38O2/c1-5-17(2)19-9-10-20-18-16-25(26-14-15-27-25)22-8-6-7-12-24(22,4)21(18)11-13-23(19,20)3/h5-7,17-22H,1,8-16H2,2-4H3/t17-,18+,19-,20+,21+,22+,23-,24-/m1/s1 |
| InChIKey |
DFDBLXPPQCRUJQ-FMWNHXNPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm900495f |
| Molecular Weight |
370.577 g/mol |
| Optical Rotation |
[a]D20 = +52.6 (c = 0.22, CHCl3) |
| Reported Formula |
C25H38O2 |
| SMILES |
C=1C[C@]2([C@](CC1)(C1(C[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@@]2([C@](C)(C=C)[H])[H])[H])C)[H])[H])OCCO1)[H])C |
| SPLASH |
splash10-001i-0294000000-4e1debb55610f8205222 |
| Source of Spectrum |
AF-52-SM4-6 |
| Thin-Layer Chromatography |
Rf = 0.48 (hexane/Et2O, 10:1) |
| Wiley ID |
1873622 |
