| SpectraBase Compound ID | AV0qjpueghn |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-12-15-14(20(4)10-6-9-19(2,3)11-20)8-7-13(17(21)23-5)16(15)18(22)24-12/h12-14H,6-11H2,1-5H3/t12-,13-,14+,20+/m1/s1 |
| InChIKey | OEEVXORZCXFKCA-VGWCWKRBSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ibylp6d0kWW |
|---|---|
| Name | 16-Methoxy-17-nor-5,6-seco-15,16-seco-15,16-dioxospongian |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-12-15-14(20(4)10-6-9-19(2,3)11-20)8-7-13(17(21)23-5)16(15)18(22)24-12/h12-14H,6-11H2,1-5H3/t12-,13-,14+,20+/m1/s1 |
| InChIKey | OEEVXORZCXFKCA-VGWCWKRBSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C12=C([C@@](C)(OC2=O)[H])[C@]([C@@]2(CC(C)(C)CCC2)C)([H])CC[C@]1(C(=O)OC)[H] |
| SPLASH | splash10-03di-0090000000-a4a7dcc255de09e1ea07 |
| Source of Spectrum | KC-60-1077-5 |
| Synonyms | (1R,4R,7R)-1-methyl-3-oxo-7-[(1S)-1,3,3-trimethylcyclohexyl]-4,5,6,7-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Methyl (1R,4R,7R)-1-methyl-3-oxo-7-[(1S)-1,3,3-trimethylcyclohexyl]-4,5,6,7-tetrahydro-1H-2-benzofuran-4-carboxylate Methyl (1R,4R,7R)-1-methyl-3-oxo-7-[(1S)-1,3,3-trimethylcyclohexyl]-4,5,6,7-tetrahydro-1H-isobenzofuran-4-carboxylate Methyl (1R,4R,7R)-1-methyl-3-oxidanylidene-7-[(1S)-1,3,3-trimethylcyclohexyl]-4,5,6,7-tetrahydro-1H-2-benzofuran-4-carboxylate |
| Wiley ID | 1583234 |