| SpectraBase Spectrum ID |
2mzLTj8ngTY |
| Name |
5-Heptenoic acid, 2-[2-(2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-, methyl ester, [2R-[2.alpha.(E),3.beta.,3a.alpha.,7a.alpha.]]- |
| CAS Registry Number |
112239-41-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-14(2)7-6-8-17(21(22)23-5)10-12-19-16(4)18-11-9-15(3)13-20(18)24-19/h7,10,13,16,18-20H,6,8-9,11-12H2,1-5H3/b17-10- |
| InChIKey |
PACASBDEISTIRK-YVLHZVERSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
C12OC(C\C=C/(C(=O)OC)CCC=C(C)C)C(C2CCC(=C1)C)C |
| SPLASH |
splash10-0006-9300000000-4f86c7b37e775a487c49 |
| Source of Spectrum |
F-43-3005-10 |
| Synonyms |
2-[3'(-methoxycarbonyl)-6'-methylhepta-2',5'-dienyl)-3-methyl-2,3,5,6-tetrahydrobenzofuran
Methyl (2Z)-2-[2-(3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-yl)ethylidene]-6-methyl-5-heptenoate |
| Wiley ID |
1329796 |
![5-Heptenoic acid, 2-[2-(2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-, methyl ester, [2R-[2.alpha.(E),3.beta.,3a.alpha.,7a.alpha.]]-](/api/spectrum/2mzLTj8ngTY/structure.png?h=300&w=458 "5-Heptenoic acid, 2-[2-(2,3,3a,4,5,7a-hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-, methyl ester, [2R-[2.alpha.(E),3.beta.,3a.alpha.,7a.alpha.]]-")
