![(3S*,3aR*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one](/api/spectrum/7W1a32Pkonz/structure.png?h=300&w=458 "(3S*,3aR*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one")
| SpectraBase Compound ID | NdKDjYdh9p |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-13-4-8-17(21)20-15(6-7-16(13)20)10-14-5-9-18(23-3)19(11-14)24-12-22-2/h5,9,11,15-16,20H,1,4,6-8,10,12H2,2-3H3/t15-,16+,20+/m0/s1 |
| InChIKey | LGXJUCLVOHLDLY-RZQQEMMASA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7W1a32Pkonz |
|---|---|
| Name | (3S*,3aR*,7aS*)-3-[4-Methoxy-3-(methoxymethoxy)benzyl]-7-methyleneoctahydro-4H-inden-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-13-4-8-17(21)20-15(6-7-16(13)20)10-14-5-9-18(23-3)19(11-14)24-12-22-2/h5,9,11,15-16,20H,1,4,6-8,10,12H2,2-3H3/t15-,16+,20+/m0/s1 |
| InChIKey | LGXJUCLVOHLDLY-RZQQEMMASA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml300283f |
| Molecular Weight | 330.424 g/mol |
| Reported Formula | C20H26O4 |
| SMILES | [C@@]1(CC[C@]2([C@@]1(C(CCC2=C)=O)[H])[H])(Cc1cc(c(cc1)OC)OCOC)[H] |
| SPLASH | splash10-0f8l-3902000000-51dc9b6bd46dbb5cc9e0 |
| Source of Spectrum | MCS-3-SM12-9a |
| Wiley ID | 1864127 |