| SpectraBase Spectrum ID |
4ox9rHMeZPP |
| Name |
(1S,2S,6S)-Cyclohexenepropanoic acid, 2-(5-hydroxy-3-methylpentyl)-1,3-dimethyl-6-(1-methylethenyl)-, methyl ester |
| CAS Registry Number |
122899-12-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-15(2)18-10-8-17(4)19(9-7-16(3)12-14-22)21(18,5)13-11-20(23)24-6/h8,16,18-19,22H,1,7,9-14H2,2-6H3/t16?,18-,19-,21-/m0/s1 |
| InChIKey |
KGYQZBSZHCGVGW-ZRTMLZEBSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
OCCC(CC[C@@]1([C@]([C@@](CC=C1C)(C(=C)C)[H])(CCC(=O)OC)C)[H])C |
| SPLASH |
splash10-0api-4930000000-70860c3387ccea2c91eb |
| Source of Spectrum |
J-54-5346-6 |
| Wiley ID |
1332727 |
