| SpectraBase Spectrum ID |
4cMB7pUY4MY |
| Name |
Z,E-pivaloyloxymethyl 6-(2'-Methyl-4'-oxobut-2'-enylidene)penicillanate |
| CAS Registry Number |
128227-65-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO6S |
| InChI |
InChI=1S/C19H25NO6S/c1-11(7-8-21)9-12-14(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+,12-9+/t13-,15+/m0/s1 |
| InChIKey |
SEOWRTBGERRSOI-WYBKBAELSA-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-9000000000-91df2b34f80fbbcd9522 |
| Source of Spectrum |
KC-1990-95-11 |
| Synonyms |
[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6E)-3,3-dimethyl-6-[(2E)-2-methyl-4-oxo-2-butenylidene]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Wiley ID |
1366993 |
