| SpectraBase Spectrum ID |
BGyIUd53BE |
| Name |
[(3aS,4S,5S,7aS)-5-chloro-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] acetate |
| Appearance |
White, crystalline solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14ClIO4 |
| InChI |
InChI=1S/C11H14ClIO4/c1-5(14)15-8-6(12)4-7(13)9-10(8)17-11(2,3)16-9/h4,6,8-10H,1-3H3/t6-,8+,9+,10-/m0/s1 |
| InChIKey |
IGMGAJPZNXZWAA-ZQNVIIHSSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b00304 |
| Molecular Weight |
372.586 g/mol |
| Optical Rotation |
[a]D =+26.1 (c = 0.6, CHCl3) |
| Reported Formula |
C11H14(35)Cl(137)IO4 |
| SMILES |
[C@@]1([C@]([C@]2([C@@](C(=C1)I)(OC(C)(C)O2)[H])[H])(OC(=O)C)[H])(Cl)[H] |
| SPLASH |
splash10-0a6r-0693000000-c94e860931a309688cea |
| Source of Spectrum |
G4-78-1966-6 |
| Wiley ID |
1867552 |
![[(3aS,4S,5S,7aS)-5-chloro-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] acetate](/api/spectrum/BGyIUd53BE/structure.png?h=300&w=458 "[(3aS,4S,5S,7aS)-5-chloro-7-iodo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] acetate")
