| SpectraBase Spectrum ID |
LHBzp77Flml |
| Name |
(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
| Alternate Name(s) |
(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H38N2O2 |
| InChI |
InChI=1S/C27H38N2O2/c1-18-7-5-9-24(20(18)3)29-13-11-28(12-14-29)17-22-21-15-23-19(2)8-6-10-27(23,4)16-25(21)31-26(22)30/h5,7,9,15,19,21-22,25H,6,8,10-14,16-17H2,1-4H3/t19-,21+,22?,25+,27+/m0/s1 |
| InChIKey |
FUQREJMZEDWYJM-IOCZBNNISA-N |
| Molecular Weight |
422.613 g/mol |
| SMILES |
C1(C(O[C@]2([C@@]1(C=C1[C@](CCC[C@@]1(C2)C)(C)[H])[H])[H])=O)CN1CCN(CC1)c1c(c(C)ccc1)C |
| SPLASH |
splash10-0udi-3960100000-01ec9df5014cc9f2b2ee |
| Wiley ID |
1444320 |
![(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one](/api/spectrum/LHBzp77Flml/structure.png?h=300&w=458 "(3aR,5S,8aR,9aR)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one")
