| SpectraBase Spectrum ID |
5aLwfMnDXAl |
| Name |
5-Heptenoic acid, 7-[6,6-dimethyl-2-(3-oxo-1-octenyl)bicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.(E),3.alpha.(Z),5.alpha.]]- |
| Alternate Name(s) |
(5E)-7-{(1S,2R,3S,5S)-6,6-dimethyl-2-[(1Z)-3-oxo-1-octenyl]bicyclo[3.1.1]hept-3-yl}-5-heptenoic acid
Methyl ester of (Z)-7-[(1S,2R,3R,5S)-2-[(1E)-3-oxo-1-octenyl]-10-norpinan-3-yl]-5-heptenoic acid |
| CAS Registry Number |
86778-03-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H38O3 |
| InChI |
InChI=1S/C24H38O3/c1-4-5-8-12-20(25)14-15-21-18(11-9-6-7-10-13-23(26)27)16-19-17-22(21)24(19,2)3/h6,9,14-15,18-19,21-22H,4-5,7-8,10-13,16-17H2,1-3H3,(H,26,27)/b9-6+,15-14-/t18-,19-,21-,22-/m0/s1 |
| InChIKey |
WRBYXTPZNVLJGO-HRHPUNCESA-N |
| Molecular Weight |
374.565 g/mol |
| SMILES |
OC(CCC\C=C\C[C@@]1([C@@]([C@]2(C(C)(C)[C@](C2)(C1)[H])[H])(\C=C/C(=O)CCCCC)[H])[H])=O |
| SPLASH |
splash10-0005-9753000000-4be8a948ee673839059f |
| Source of Spectrum |
H-66-1006-0 |
| Wiley ID |
1356939 |
![5-Heptenoic acid, 7-[6,6-dimethyl-2-(3-oxo-1-octenyl)bicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.(E),3.alpha.(Z),5.alpha.]]-](/api/spectrum/5aLwfMnDXAl/structure.png?h=300&w=458 "5-Heptenoic acid, 7-[6,6-dimethyl-2-(3-oxo-1-octenyl)bicyclo[3.1.1]hept-3-yl]-, [1S-[1.alpha.,2.beta.(E),3.alpha.(Z),5.alpha.]]-")
