![5-[(Methylbutanoyl)oxy]-1,4,9-trihydroxy-2-oxoxantha-11-en-6,12-olide](/api/spectrum/Hx9hcmJt2rT/structure.png?h=300&w=458 "5-[(Methylbutanoyl)oxy]-1,4,9-trihydroxy-2-oxoxantha-11-en-6,12-olide")
| SpectraBase Compound ID | 6WMJHsrhQHM |
|---|---|
| InChI | InChI=1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3/t9?,10?,12?,13?,14?,16-,17+,20-/m1/s1 |
| InChIKey | CFNPAWULBAZKEI-REJBDXAKSA-N |
| Mol Weight | 398.45 g/mol |
| Molecular Formula | C20H30O8 |
| Exact Mass | 398.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hx9hcmJt2rT |
|---|---|
| Name | 5-[(Methylbutanoyl)oxy]-1,4,9-trihydroxy-2-oxoxantha-11-en-6,12-olide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O8 |
| InChI | InChI=1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3/t9?,10?,12?,13?,14?,16-,17+,20-/m1/s1 |
| InChIKey | CFNPAWULBAZKEI-REJBDXAKSA-N |
| Molecular Weight | 398.452 g/mol |
| SMILES | OC1CC2[C@]([C@@]([C@@](C1C)(C(CC(O)C)=O)O)(OC(=O)C(CC)C)[H])(OC(C2=C)=O)[H] |
| SPLASH | splash10-03di-0359000000-a76a107ed471f787ec92 |
| Source of Spectrum | G4-62-1549-7 |
| Wiley ID | 1608117 |