| SpectraBase Compound ID | 28XV4iEInix |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1 |
| InChIKey | AQIUXCCPCWXHJS-WNRRLTEBSA-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 | 1P4ntW2zTNG |
|---|---|
| Name | 1-Deoxy-bacrispine |
| Alternate Name(s) | 15,16-Epoxy-7.alpha.-hydroxy-neocleroda-3,13(16),14-trien-18,19-olide (6aR,7R,8S,9R,10aS)-7-[2-(3-furanyl)ethyl]-9-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6aR,7R,8S,9R,10aS)-7-[2-(furan-3-yl)ethyl]-9-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one (6aR,7R,8S,9R,10aS)-7-[2-(3-furyl)ethyl]-9-hydroxy-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-3-one (6aR,7R,8S,9R,10aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-9-oxidanyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1 |
| InChIKey | AQIUXCCPCWXHJS-WNRRLTEBSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | O[C@]1([C@@](C)([C@@]([C@@]2([C@]3(C(C(=O)OC3)=CCC2)C1)[H])(CCc1cocc1)C)[H])[H] |
| SPLASH | splash10-001i-9152000000-1effaf35eb5bd0b53e1a |
| Source of Spectrum | G4-60-492-2 |
| Wiley ID | 1606690 |