| SpectraBase Spectrum ID |
Ao4j5nwCo9o |
| Name |
(3aS,4S,6S,7S,7aS)-7-Acetoxy-6-iodo-6-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester |
| Alternate Name(s) |
Methyl 7-(acetoxy)-octahydro-6-methyl-6-iodo-3-ioxobenzofuran-4-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17IO6 |
| InChI |
InChI=1S/C13H17IO6/c1-6(15)20-11-10-9(8(16)5-19-10)7(12(17)18-3)4-13(11,2)14/h7,9-11H,4-5H2,1-3H3/t7-,9+,10-,11-,13-/m0/s1 |
| InChIKey |
AQTFGNUEVRXTDK-NTGGNFCOSA-N |
| Molecular Weight |
396.177 g/mol |
| SMILES |
[C@]12([C@]([C@@](C(=O)OC)(C[C@@]([C@]2(OC(=O)C)[H])(I)C)[H])(C(=O)CO1)[H])[H] |
| SPLASH |
splash10-014j-0298000000-10b5da91f0ecea3f1776 |
| Source of Spectrum |
C-117-1926-34 |
| Wiley ID |
1697541 |
