| SpectraBase Spectrum ID |
Aj4JNex2EJb |
| Name |
(3ar,8ar,9ar)-3-[[4-(2-Furoyl)piperazino]methyl]-5,8A-dimethyl-3,3A,4,6,7,8,9,9A-octahydrobenzo[F]benzofuran-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.236207514 u |
| Formula |
C24H32N2O4 |
| InChI |
InChI=1S/C24H32N2O4/c1-16-5-3-7-24(2)14-21-17(13-19(16)24)18(23(28)30-21)15-25-8-10-26(11-9-25)22(27)20-6-4-12-29-20/h4,6,12,17-18,21H,3,5,7-11,13-15H2,1-2H3/t17-,18?,21-,24-/m1/s1 |
| InChIKey |
UFAAOAUAAMIQQW-KXQAUUMESA-N |
| Molecular Weight |
412.530 g/mol |
| SMILES |
C1(C(O[C@]2([C@@]1(CC=1[C@@](CCCC1C)(C)C2)[H])[H])=O)CN1CCN(C(C=2OC=CC2)=O)CC1 |
![(3aR,8aR,9aR)-3-[[4-(2-furoyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one](/api/spectrum/Aj4JNex2EJb/structure.png?h=300&w=458 "(3aR,8aR,9aR)-3-[[4-(2-furoyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one")
