![2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-](/api/spectrum/9a1ZqM8SqOk/structure.png?h=300&w=458 "2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-")
| SpectraBase Compound ID | 5fI8iJZyxRs |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3 |
| InChIKey | DPSCQKGSAHTWSP-UHFFFAOYSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9a1ZqM8SqOk |
|---|---|
| Name | 2H-Cyclohepta[b]furan-2-one, 6-[1-(acetyloxy)-3-oxobutyl]-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene- |
| CAS Registry Number | 580-49-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3 |
| InChIKey | DPSCQKGSAHTWSP-UHFFFAOYSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2 |
| SPLASH | splash10-0006-7920000000-d0504edb4f993bad1717 |
| Source of Spectrum | W5-27555-0-0 |
| Synonyms | 1-(7-Methyl-3-methylene-2-oxo-3,3a,4,7,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl)-3-oxobutyl acetate 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-6-(1-hydroxy-3-oxobutyl)-7-methyl-3-methylene-, acetate, (3aR,7S,8aS)- Xanthumin 6-(1-(acetyloxy)-3-oxobutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-2H-cyclohepta(b)furan-2-one Acetic acid [1-(7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] ester Xanthinin [1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate [1-(7-methyl-3-methylene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxo-butyl] acetate [1-(7-methyl-3-methylidene-2-oxidanylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxidanylidene-butyl] ethanoate |
| Wiley ID | 1308055 |