![N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)methyl]alanine](/api/spectrum/C3dz6pF3C39/structure.png?h=300&w=458 "N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)methyl]alanine")
| SpectraBase Compound ID | 7EWIUeEQsU1 |
|---|---|
| InChI | InChI=1S/C25H37NO5/c1-16-7-10-21-24(3,12-6-13-25(21,4)23(29)30-5)19(16)9-8-18-11-14-31-20(18)15-26-17(2)22(27)28/h11,14,17,19,21,26H,1,6-10,12-13,15H2,2-5H3,(H,27,28) |
| InChIKey | WSZZGSWXNSKKNT-UHFFFAOYSA-N |
| Mol Weight | 431.6 g/mol |
| Molecular Formula | C25H37NO5 |
| Exact Mass | 431.267173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3dz6pF3C39 |
|---|---|
| Name | N-[(3-{2-[(1S,5S,8ar)-5-(Methoxycarbonyl)-5,8A-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)methyl]alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.267173290 u |
| Formula | C25H37NO5 |
| InChI | InChI=1S/C25H37NO5/c1-16-7-10-21-24(3,12-6-13-25(21,4)23(29)30-5)19(16)9-8-18-11-14-31-20(18)15-26-17(2)22(27)28/h11,14,17,19,21,26H,1,6-10,12-13,15H2,2-5H3,(H,27,28) |
| InChIKey | WSZZGSWXNSKKNT-UHFFFAOYSA-N |
| Molecular Weight | 431.573 g/mol |
| SMILES | N(CC1=C(CCC2C3(C(C(C(=O)OC)(C)CCC3)CCC2=C)C)C=CO1)C(C(=O)O)C |