| SpectraBase Spectrum ID |
85PQBfgolf7 |
| Name |
(+)-(4aR,8aR,10aS)-1,1,4a,8a-tetramethyl-2,6-dioxo-1,2,4a,6,8a,9,10,10a-octahydrophenanthrene-3-carbonitrile |
| Appearance |
Amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-17(2)14-6-8-18(3)7-5-13(21)9-15(18)19(14,4)10-12(11-20)16(17)22/h5,7,9-10,14H,6,8H2,1-4H3/t14-,18+,19-/m1/s1 |
| InChIKey |
INKQDOKSUGHEOZ-MDASCCDHSA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm101445p |
| Molecular Weight |
295.382 g/mol |
| Optical Rotation |
[a]D26 = +115o (c = 0.31, CHCl3) |
| Reported Formula |
C19H21NO2 |
| SMILES |
C=1(C(C([C@@]2([C@@](C1)(C=1[C@](CC2)(C=CC(C1)=O)C)C)[H])(C)C)=O)C#N |
| SPLASH |
splash10-0udi-0290000000-2d8ea4793f5a616d8ffd |
| Source of Spectrum |
AF-54-SM23-(+)-5 |
| Wiley ID |
1848742 |
