| SpectraBase Spectrum ID |
2CUW2IXVxuq |
| Name |
(3ar,5S,8ar,9ar)-3-[(Benzylamino)methyl]-3A,5,6,7,8,8A,9,9A-octahydro-5,8A-dimethylnaphtho[2,3-B]furan-2(3H)-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.219829176 u |
| Formula |
C22H29NO2 |
| InChI |
InChI=1S/C22H29NO2/c1-15-7-6-10-22(2)12-20-17(11-19(15)22)18(21(24)25-20)14-23-13-16-8-4-3-5-9-16/h3-5,8-9,11,15,17-18,20,23H,6-7,10,12-14H2,1-2H3/t15-,17+,18?,20+,22+/m0/s1 |
| InChIKey |
PZPFREVHDDOFIN-RZTMBEKQSA-N |
| Molecular Weight |
339.479 g/mol |
| SMILES |
C[C@]1(CCC[C@]2(C)C[C@]3(OC(C([C@@]3([H])C=C12)CNCC1=CC=CC=C1)=O)[H])[H] |
![(3aR,5S,8aR,9aR)-3-[(benzylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one](/api/spectrum/2CUW2IXVxuq/structure.png?h=300&w=458 "(3aR,5S,8aR,9aR)-3-[(benzylamino)methyl]-3a,5,6,7,8,8a,9,9a-octahydro-5,8a-dimethylnaphtho[2,3-b]furan-2(3H)-one")
