| SpectraBase Spectrum ID |
LScld1qcWJO |
| Name |
(+)-(4bR,8aS,10aR)-4b,8,8,10a-Tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile |
| Appearance |
Colorless crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2O2 |
| InChI |
InChI=1S/C20H20N2O2/c1-18(2)15-5-6-19(3)8-12(10-21)14(23)7-16(19)20(15,4)9-13(11-22)17(18)24/h7-9,15H,5-6H2,1-4H3/t15-,19-,20-/m1/s1 |
| InChIKey |
BQDNSKXHOWSOHH-CDHQVMDDSA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm101445p |
| Molecular Weight |
320.392 g/mol |
| Optical Rotation |
[a]D26 = +88o(c = 0.55, CHCl3) |
| Reported Formula |
C20H20N2O2 |
| SMILES |
C=1(C(C([C@@]2([C@@](C1)(C=1[C@](CC2)(C=C(C(C1)=O)C#N)C)C)[H])(C)C)=O)C#N |
| SPLASH |
splash10-00b9-0594000000-8d7c1cf723c4228cbd4a |
| Source of Spectrum |
AF-54-SM42-(+)-9 |
| Wiley ID |
1848743 |
