| SpectraBase Spectrum ID |
DmgsljPWKTs |
| Name |
(8S,20S)-Des-A,B-20-(1',1'-dimethyl-3'-ethoxycarbonyl-propyl)-pregnan-8.beta.-ol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H36O3 |
| InChI |
InChI=1S/C20H36O3/c1-6-23-18(22)11-13-19(3,4)14(2)15-9-10-16-17(21)8-7-12-20(15,16)5/h14-17,21H,6-13H2,1-5H3/t14-,15+,16-,17-,20+/m0/s1 |
| InChIKey |
LRVFEOPYJOHPBE-YPLULLRNSA-N |
| Instrument Name |
Micromass AutoSpec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm300187x |
| Molecular Weight |
324.505 g/mol |
| Optical Rotation |
[a]D = +7.1 (c = 1.0, CHCl3) |
| Reported Formula |
C20H36O3 |
| SMILES |
O[C@@]1([C@]2([C@](CCC1)([C@](CC2)([C@](C)(C(C)(C)CCC(OCC)=O)[H])[H])C)[H])[H] |
| SPLASH |
splash10-03dl-2900000000-a670770ac94fe40ba466 |
| Source of Spectrum |
AF-55-SM11-35 |
| Wiley ID |
1852063 |
