![(3S*,3aS*,4S*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]octahydro-1H-in den-4-yl acetate](/api/spectrum/4FisXeTX7lh/structure.png?h=300&w=458 "(3S*,3aS*,4S*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]octahydro-1H-in den-4-yl acetate")
| SpectraBase Compound ID | Lw23Bxm2qAb |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-14(22)26-19-6-4-5-16-8-9-17(21(16)19)11-15-7-10-18(24-3)20(12-15)25-13-23-2/h7,10,12,16-17,19,21H,4-6,8-9,11,13H2,1-3H3/t16-,17-,19-,21-/m0/s1 |
| InChIKey | DCSVWEPCVISHCW-VKRLORBYSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4FisXeTX7lh |
|---|---|
| Name | (3S*,3aS*,4S*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]octahydro-1H-in den-4-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-14(22)26-19-6-4-5-16-8-9-17(21(16)19)11-15-7-10-18(24-3)20(12-15)25-13-23-2/h7,10,12,16-17,19,21H,4-6,8-9,11,13H2,1-3H3/t16-,17-,19-,21-/m0/s1 |
| InChIKey | DCSVWEPCVISHCW-VKRLORBYSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml300283f |
| Molecular Weight | 362.466 g/mol |
| Reported Formula | C21H30O5 |
| SMILES | [C@@]1(CC[C@]2([C@@]1([C@](CCC2)(OC(C)=O)[H])[H])[H])(Cc1ccc(c(c1)OCOC)OC)[H] |
| SPLASH | splash10-03l9-0904000000-e919a30894f8ce1d73c1 |
| Source of Spectrum | MCS-3-SM6-16 |
| Wiley ID | 1864113 |