| SpectraBase Compound ID | 733o4vtKnjH |
|---|---|
| InChI | InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-9H,6H2,1-5H3/t8?,9?,14-/m1/s1 |
| InChIKey | WDHSIBDVOVMUBZ-OAQUUNCKSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C14H20O5 |
| Exact Mass | 268.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3HpyXPziGgL |
|---|---|
| Name | Phomaligadione A |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20O5 |
| InChI | InChI=1S/C14H20O5/c1-6-8(2)13(17)19-14(4)11(15)7-10(18-5)9(3)12(14)16/h7-9H,6H2,1-5H3/t8?,9?,14-/m1/s1 |
| InChIKey | WDHSIBDVOVMUBZ-OAQUUNCKSA-N |
| Molecular Weight | 268.309 g/mol |
| SMILES | [C@]1(C(C(C)C(=CC1=O)OC)=O)(OC(=O)C(CC)C)C |
| SPLASH | splash10-001i-0900000000-5e778f0ed50e59462fe0 |
| Source of Spectrum | F-49-8321-3 |
| Synonyms | (1R)-4-methoxy-1,5-dimethyl-2,6-dioxo-3-cyclohexen-1-yl 2-methylbutanoate 2-methylbutanoic acid[(1R)-4-methoxy-1,5-dimethyl-2,6-dioxo-1-cyclohex-3-enyl]ester 2-methylbutyric acid[(1R)-2,6-diketo-4-methoxy-1,5-dimethyl-cyclohex-3-en-1-yl]ester [(1R)-4-methoxy-1,5-dimethyl-2,6-bis(oxidanylidene)cyclohex-3-en-1-yl]2-methylbutanoate [(1R)-4-methoxy-1,5-dimethyl-2,6-dioxo-cyclohex-3-en-1-yl]2-methylbutanoate 2-methylbutanoic acid [(1R)-4-methoxy-1,5-dimethyl-2,6-dioxo-1-cyclohex-3-enyl] ester [(1R)-4-methoxy-1,5-dimethyl-2,6-dioxocyclohex-3-en-1-yl] 2-methylbutanoate [(1R)-4-methoxy-1,5-dimethyl-2,6-dioxo-cyclohex-3-en-1-yl] 2-methylbutanoate [(1R)-4-methoxy-1,5-dimethyl-2,6-bis(oxidanylidene)cyclohex-3-en-1-yl] 2-methylbutanoate |
| Wiley ID | 788384 |