| SpectraBase Spectrum ID |
K3ZfeuGEVXc |
| Name |
1-[[(3ar,8ar,9ar)-2-keto-8A-methyl-5-methylene-3A,4,4A,6,7,8,9,9A-octahydro-3H-benzo[F]benzofuran-3-yl]methyl]isonipecotic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.256608607 u |
| Formula |
C23H35NO4 |
| InChI |
InChI=1S/C23H35NO4/c1-4-27-21(25)16-7-10-24(11-8-16)14-18-17-12-19-15(2)6-5-9-23(19,3)13-20(17)28-22(18)26/h16-20H,2,4-14H2,1,3H3/t17-,18?,19?,20-,23-/m1/s1 |
| InChIKey |
DMLONNLDGVEKRB-GGPJSNFESA-N |
| Molecular Weight |
389.536 g/mol |
| SMILES |
C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCC(C(=O)OCC)CC1 |
![1-[[(3aR,8aR,9aR)-2-keto-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]isonipecotic acid ethyl ester](/api/spectrum/K3ZfeuGEVXc/structure.png?h=300&w=458 "1-[[(3aR,8aR,9aR)-2-keto-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-3-yl]methyl]isonipecotic acid ethyl ester")
