| SpectraBase Spectrum ID |
9XelCzwOKON |
| Name |
2-Heptenoic acid, 4-(acetyloxy)-6-(4-hydroxy-4-methyl-2-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-, methyl ester, [1R-[1.alpha.(2E,4R*,6R*),4.beta.]]- |
| CAS Registry Number |
112239-52-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H36O5 |
| InChI |
InChI=1S/C23H36O5/c1-16(2)8-7-9-20(22(25)27-6)15-21(28-18(4)24)14-17(3)19-10-12-23(5,26)13-11-19/h8,10,12,15,17,19,21,26H,7,9,11,13-14H2,1-6H3/b20-15+/t17-,19-,21-,23?/m1/s1 |
| InChIKey |
ZVQOOCHCSLVPBM-SKKJDJQHSA-N |
| Molecular Weight |
392.536 g/mol |
| SMILES |
OC1(CC[C@@](C=C1)([C@@](C[C@](\C=C\(C(=O)OC)CCC=C(C)C)(OC(=O)C)[H])(C)[H])[H])C |
| SPLASH |
splash10-006t-0961000000-e9a5c4e17f551955426a |
| Source of Spectrum |
F-43-3005-1 |
| Synonyms |
Methyl (2E,4R,6R)-4-(acetyloxy)-6-[(1R)-4-hydroxy-4-methyl-2-cyclohexen-1-yl]-2-(4-methyl-3-pentenyl)-2-heptenoate |
| Wiley ID |
1365916 |
![2-Heptenoic acid, 4-(acetyloxy)-6-(4-hydroxy-4-methyl-2-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-, methyl ester, [1R-[1.alpha.(2E,4R*,6R*),4.beta.]]-](/api/spectrum/9XelCzwOKON/structure.png?h=300&w=458 "2-Heptenoic acid, 4-(acetyloxy)-6-(4-hydroxy-4-methyl-2-cyclohexen-1-yl)-2-(4-methyl-3-pentenyl)-, methyl ester, [1R-[1.alpha.(2E,4R*,6R*),4.beta.]]-")
