| SpectraBase Spectrum ID |
4265MSQL8rf |
| Name |
(+/-)-(4aS,8aS,10aR,Z)-Methyl 3-(hydroxymethylene)-1,1,4a-trimethyl-2-oxo-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-8a-carboxylate |
| Appearance |
Crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-18(2)14-8-10-20(17(23)24-4)9-6-5-7-15(20)19(14,3)11-13(12-21)16(18)22/h7,12,14,21H,5-6,8-11H2,1-4H3/b13-12-/t14-,19-,20-/m0/s1 |
| InChIKey |
OUPNOQSCWBZTRS-DFXYHPTJSA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm101445p |
| Molecular Weight |
332.440 g/mol |
| Reported Formula |
C20H28O4 |
| SMILES |
O\C=C/1C(C([C@]2([C@](C1)(C=1[C@@](CC2)(CCCC1)C(OC)=O)C)[H])(C)C)=O |
| SPLASH |
splash10-007k-0976000000-a01207c71f3c9a32e022 |
| Source of Spectrum |
AF-54-SM55-57 |
| Wiley ID |
1848784 |
