| SpectraBase Spectrum ID |
KRTLc9yMaZS |
| Name |
Pivaloyloxymethyl-6-(3'-Methyl-4'-oxobut-2'-enylidene)peni-cillanate |
| CAS Registry Number |
128227-64-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO6S |
| InChI |
InChI=1S/C19H25NO6S/c1-11(9-21)7-8-12-14(22)20-13(19(5,6)27-15(12)20)16(23)25-10-26-17(24)18(2,3)4/h7-9,13,15H,10H2,1-6H3/b11-7+,12-8+/t13-,15+/m0/s1 |
| InChIKey |
LMQHPHFSTXRJOI-DJKROLFVSA-N |
| Molecular Weight |
395.470 g/mol |
| SMILES |
[C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C(\C1=C\C=C\(C=O)C)=O)[H] |
| SPLASH |
splash10-001i-9010000000-ad813a3266c1b44b5da4 |
| Source of Spectrum |
KC-1990-95-10 |
| Synonyms |
[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6E)-3,3-dimethyl-6-[(2E)-3-methyl-4-oxo-2-butenylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Wiley ID |
1366992 |
