| SpectraBase Spectrum ID |
LYNuXiCV95b |
| Name |
(1'S,3S,4'R)-(-)-(4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carboxylic acid 3-cyano-3-(3'',4''-dichlorophenyl)-5-methoxycarbonylpentanyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27Cl2NO6 |
| InChI |
InChI=1S/C24H27Cl2NO6/c1-21(2)22(3)9-10-24(21,33-19(22)29)20(30)32-12-11-23(14-27,8-7-18(28)31-4)15-5-6-16(25)17(26)13-15/h5-6,13H,7-12H2,1-4H3/t22-,23-,24+/m1/s1 |
| InChIKey |
AXTHUSJGIRMRCM-SMIHKQSGSA-N |
| Molecular Weight |
496.387 g/mol |
| SMILES |
[C@]12(OC(=O)[C@@](C2(C)C)(C)CC1)C(=O)OCC[C@@](c1cc(Cl)c(cc1)Cl)(C#N)CCC(=O)OC |
| SPLASH |
splash10-0a5i-0900000000-0dc62f2d1ab4c3a475e0 |
| Source of Spectrum |
KC-57-8201-13 |
| Wiley ID |
1625961 |
![(1'S,3S,4'R)-(-)-(4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carboxylic acid 3-cyano-3-(3'',4''-dichlorophenyl)-5-methoxycarbonylpentanyl ester](/api/spectrum/LYNuXiCV95b/structure.png?h=300&w=458 "(1'S,3S,4'R)-(-)-(4',7',7'-Trimethyl-3'-oxo-2'-oxabicyclo[2.2.1]heptane-1'-carboxylic acid 3-cyano-3-(3'',4''-dichlorophenyl)-5-methoxycarbonylpentanyl ester")
