![2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3-yl ester, [3R-[3.alpha.(Z),3a.beta.,9a.beta.,9b.alpha.]]-](/api/spectrum/HXk2Ig2X6FA/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan-3-yl ester, [3R-[3.alpha.(Z),3a.beta.,9a.beta.,9b.alpha.]]-")
| SpectraBase Compound ID | BFqJXPuLDV8 |
|---|---|
| InChI | InChI=1S/C20H26O4/c1-6-11(2)18(21)24-20(5)15-10-8-12(3)14-9-7-13(4)16(14)17(15)23-19(20)22/h6-7,15-17H,8-10H2,1-5H3/b11-6- |
| InChIKey | OXXDMPVAKVTTPQ-WDZFZDKYSA-N |
| Mol Weight | 330.42 g/mol |
| Molecular Formula | C20H26O4 |
| Exact Mass | 330.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXk2Ig2X6FA |
|---|---|
| Name | 2-Butenoic acid, 2-methyl-, 2,3,3A,4,5,7,9A,9B-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-B]furan-3-yl ester, [3R-[3.alpha.(Z),3A.beta.,9A.beta.,9B.alpha.]]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.183109313 u |
| Formula | C20H26O4 |
| InChI | InChI=1S/C20H26O4/c1-6-11(2)18(21)24-20(5)15-10-8-12(3)14-9-7-13(4)16(14)17(15)23-19(20)22/h6-7,15-17H,8-10H2,1-5H3/b11-6- |
| InChIKey | OXXDMPVAKVTTPQ-WDZFZDKYSA-N |
| Molecular Weight | 330.424 g/mol |
| SMILES | C1C=C(C)C2C1=C(CCC1C2OC(C1(C)OC(\C(C)=C/C)=O)=O)C |