| SpectraBase Spectrum ID |
JOBFDJ2hneT |
| Name |
rel-(1S,5S,8S)-1,1-dimethylethyl 5-[8-iodo-7-oxo-1-methyl-6-oxabicyclo[3.2.1]oct-2-en-5-yl]-2(E)-pentenoate |
| CAS Registry Number |
114837-92-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23IO4 |
| InChI |
InChI=1S/C17H23IO4/c1-15(2,3)21-12(19)8-5-6-10-17-11-7-9-16(4,13(17)18)14(20)22-17/h5,7-9,13H,6,10-11H2,1-4H3/b8-5+/t13-,16+,17-/m0/s1 |
| InChIKey |
ZFLLZXRZUQNTRM-NBMHURIQSA-N |
| Molecular Weight |
418.271 g/mol |
| SMILES |
[C@]12(C(O[C@@]([C@]2(I)[H])(CC\C=C\C(OC(C)(C)C)=O)CC=C1)=O)C |
| SPLASH |
splash10-0a4i-2900000000-65ceffeef52bf3bf5c6c |
| Source of Spectrum |
J-53-3217-47 |
| Synonyms |
tert-Butyl (2E)-5-[(1S,5S,8S)-8-iodo-1-methyl-7-oxo-6-oxabicyclo[3.2.1]oct-2-en-5-yl]-2-pentenoate |
| Wiley ID |
1377020 |
![rel-(1S,5S,8S)-1,1-dimethylethyl 5-[8-iodo-7-oxo-1-methyl-6-oxabicyclo[3.2.1]oct-2-en-5-yl]-2(E)-pentenoate](/api/spectrum/JOBFDJ2hneT/structure.png?h=300&w=458 "rel-(1S,5S,8S)-1,1-dimethylethyl 5-[8-iodo-7-oxo-1-methyl-6-oxabicyclo[3.2.1]oct-2-en-5-yl]-2(E)-pentenoate")
