| SpectraBase Spectrum ID |
KFLsBylUsHA |
| Name |
(3aR,4R,9aR,9bS)-4-butyl-2-phenyl-6-[(1R)-1-phenylethyl]-3a,4,8,9,9a,9b-hexahydropyrrolo[3,4-f]quinoline-1,3,7-trione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H32N2O3 |
| InChI |
InChI=1S/C29H32N2O3/c1-3-4-11-21-18-24-23(16-17-25(32)30(24)19(2)20-12-7-5-8-13-20)27-26(21)28(33)31(29(27)34)22-14-9-6-10-15-22/h5-10,12-15,18-19,21,23,26-27H,3-4,11,16-17H2,1-2H3/t19-,21-,23+,26-,27+/m1/s1 |
| InChIKey |
PWBABZVMHZFPLP-UGBKJADCSA-N |
| Molecular Weight |
456.586 g/mol |
| SMILES |
C1(N(C2=C[C@]([C@@]3([C@]([C@]2(CC1)[H])(C(N(C3=O)c1ccccc1)=O)[H])[H])(CCCC)[H])[C@](C)(c1ccccc1)[H])=O |
| SPLASH |
splash10-0udi-0904000000-5f51f25e42276d61f2bc |
| Source of Spectrum |
F-68-6366-15 |
| Wiley ID |
1573202 |
![(3aR,4R,9aR,9bS)-4-butyl-2-phenyl-6-[(1R)-1-phenylethyl]-3a,4,8,9,9a,9b-hexahydropyrrolo[3,4-f]quinoline-1,3,7-trione](/api/spectrum/KFLsBylUsHA/structure.png?h=300&w=458 "(3aR,4R,9aR,9bS)-4-butyl-2-phenyl-6-[(1R)-1-phenylethyl]-3a,4,8,9,9a,9b-hexahydropyrrolo[3,4-f]quinoline-1,3,7-trione")
