| SpectraBase Compound ID | E0Mq0qNN6DK |
|---|---|
| InChI | InChI=1S/C22H30O7/c1-7-11(2)19(24)29-22(6)15-9-8-12(3)14-10-16(27-13(4)23)21(5,26)17(14)18(15)28-20(22)25/h7,14-18,26H,3,8-10H2,1-2,4-6H3/b11-7+/t14-,15-,16-,17-,18-,21-,22+/m1/s1 |
| InChIKey | BUYBSZYTQJHXLX-YNVKSWPASA-N |
| Mol Weight | 406.48 g/mol |
| Molecular Formula | C22H30O7 |
| Exact Mass | 406.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KvvP6CQVZP5 |
|---|---|
| Name | 1.beta.-H,5.beta.-H,6.alpha.-H,7.alpha.-H-3..alpha.-(Acetyloxy)-11.alpha.-(angeloyloxy)-4.alpha.-hydroxy-Guaia-3(4),10(14)-dien-6,7-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O7 |
| InChI | InChI=1S/C22H30O7/c1-7-11(2)19(24)29-22(6)15-9-8-12(3)14-10-16(27-13(4)23)21(5,26)17(14)18(15)28-20(22)25/h7,14-18,26H,3,8-10H2,1-2,4-6H3/b11-7+/t14-,15-,16-,17-,18-,21-,22+/m1/s1 |
| InChIKey | BUYBSZYTQJHXLX-YNVKSWPASA-N |
| Molecular Weight | 406.475 g/mol |
| SMILES | O[C@]1([C@]2([C@@]3(OC(=O)[C@]([C@@]3(CCC([C@]2(C[C@]1(OC(=O)C)[H])[H])=C)[H])(OC(\C(=C\C)C)=O)C)[H])[H])C |
| SPLASH | splash10-001i-9030000000-d513ed39f48706f37007 |
| Source of Spectrum | G4-69-1570-13 |
| Synonyms | (E)-2-methyl-2-butenoic acid [(3S,3aR,6aS,8R,9S,9aR,9bR)-8-acetyloxy-9-hydroxy-3,9-dimethyl-6-methylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] ester [(3S,3aR,6aS,8R,9S,9aR,9bR)-8-acetyloxy-9-hydroxy-3,9-dimethyl-6-methylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] (E)-2-methylbut-2-enoate [(3S,3aR,6aS,8R,9S,9aR,9bR)-8-acetoxy-9-hydroxy-3,9-dimethyl-6-methylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] (E)-2-methylbut-2-enoate [(3S,3aR,6aS,8R,9S,9aR,9bR)-8-acetyloxy-3,9-dimethyl-6-methylidene-9-oxidanyl-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl] (E)-2-methylbut-2-enoate |
| Wiley ID | 1694520 |