![[1aR-[1aR*,4E,7R*(E),7aR*,8S*,10aS*,10bR*]]-1a,2,3,6,7,7a,8,10a,10b-decahydro-1a,5,8-trimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester of 4-hydroxy-2-methyl-2-butenoic acid](/api/spectrum/dpFTb0DFtZ/structure.png?h=300&w=458 "[1aR-[1aR*,4E,7R*(E),7aR*,8S*,10aS*,10bR*]]-1a,2,3,6,7,7a,8,10a,10b-decahydro-1a,5,8-trimethyl-9-oxooxireno[9,10]cyclodeca[1,2-b]furan-7-yl ester of 4-hydroxy-2-methyl-2-butenoic acid")
| SpectraBase Compound ID | A0iWzb4L0LP |
|---|---|
| InChI | InChI=1S/C20H28O6/c1-11-6-5-8-20(4)17(26-20)16-15(13(3)19(23)25-16)14(10-11)24-18(22)12(2)7-9-21/h6-7,13-17,21H,5,8-10H2,1-4H3/b11-6-,12-7- |
| InChIKey | KDGLXSXDVDPOEK-IODUZNRKSA-N |
| Mol Weight | 364.44 g/mol |
| Molecular Formula | C20H28O6 |
| Exact Mass | 364.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dpFTb0DFtZ |
|---|---|
| Name | [1ar-[1ar*,4E,7R*(E),7ar*,8S*,10As*,10BR*]]-1A,2,3,6,7,7A,8,10A,10B-decahydro-1A,5,8-trimethyl-9-oxooxireno[9,10]cyclodeca[1,2-B]furan-7-yl ester of 4-hydroxy-2-methyl-2-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.188588616 u |
| Formula | C20H28O6 |
| InChI | InChI=1S/C20H28O6/c1-11-6-5-8-20(4)17(26-20)16-15(13(3)19(23)25-16)14(10-11)24-18(22)12(2)7-9-21/h6-7,13-17,21H,5,8-10H2,1-4H3/b11-6-,12-7- |
| InChIKey | KDGLXSXDVDPOEK-IODUZNRKSA-N |
| Molecular Weight | 364.438 g/mol |
| SMILES | C12OC2(CC\C=C/(CC(C2C1OC(=O)C2C)OC(\C(=C/CO)C)=O)C)C |