| SpectraBase Spectrum ID |
93SaWIN5PqO |
| Name |
(+/-)-(4bS,8aR,10aS)-6-Cyano-4b,8,8,10a-tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2-carboxylic acid |
| Appearance |
Crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-18(2)14-5-6-19(3)9-12(17(24)25)13(22)7-15(19)20(14,4)8-11(10-21)16(18)23/h7-9,14H,5-6H2,1-4H3,(H,24,25)/t14-,19-,20-/m0/s1 |
| InChIKey |
VQGLKNMJFOHNKZ-GKCIPKSASA-N |
| Instrument Name |
Micromass 70-VSE |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm101445p |
| Molecular Weight |
339.391 g/mol |
| Reported Formula |
C20H21NO4 |
| SMILES |
OC(C1=C[C@]2(C([C@@]3([C@](C(C(C(=C3)C#N)=O)(C)C)(CC2)[H])C)=CC1=O)C)=O |
| SPLASH |
splash10-00ea-0293000000-e3407bc48acf92b823fc |
| Source of Spectrum |
AF-54-SM34-7 |
| Wiley ID |
1848793 |
