| SpectraBase Spectrum ID |
F5CXFxSsuNZ |
| Name |
Cyclohexanepropanoic acid, 2-[2-(3-furanyl)ethyl]-2,3-dimethyl-6-(1-methylethylidene)-, methyl ester, [1S-(1.alpha.,2.beta.,3.alpha.)]- |
| Alternate Name(s) |
Methyl 3-[(1S,2S,3S)-2-[2-(3-furyl)ethyl]-2,3-dimethyl-6-(1-methylethylidene)cyclohexyl]propanoate
seco-chiliotrin methyl ester |
| CAS Registry Number |
102904-55-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O3 |
| InChI |
InChI=1S/C21H32O3/c1-15(2)18-7-6-16(3)21(4,12-10-17-11-13-24-14-17)19(18)8-9-20(22)23-5/h11,13-14,16,19H,6-10,12H2,1-5H3/t16-,19+,21-/m0/s1 |
| InChIKey |
NUSPBUAVDKDEAT-SCWSEQNSSA-N |
| Molecular Weight |
332.484 g/mol |
| SMILES |
C1([C@]([C@](CCc2cocc2)(C)[C@](CC1)(C)[H])(CCC(=O)OC)[H])=C(C)C |
| SPLASH |
splash10-001s-9741000000-524b481e09106581c24a |
| Source of Spectrum |
F-42-1310-11 |
| Wiley ID |
1329788 |
![Cyclohexanepropanoic acid, 2-[2-(3-furanyl)ethyl]-2,3-dimethyl-6-(1-methylethylidene)-, methyl ester, [1S-(1.alpha.,2.beta.,3.alpha.)]-](/api/spectrum/F5CXFxSsuNZ/structure.png?h=300&w=458 "Cyclohexanepropanoic acid, 2-[2-(3-furanyl)ethyl]-2,3-dimethyl-6-(1-methylethylidene)-, methyl ester, [1S-(1.alpha.,2.beta.,3.alpha.)]-")
