SpectraBase Spectrum ID |
F9u1PwZVDlE |
Name |
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(4-methoxy-4-oxo-2-butenylidene)-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-[2.alpha.,5.alpha.,6Z(Z)]]- |
CAS Registry Number |
128227-61-2 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C19H25NO7S |
InChI |
InChI=1S/C19H25NO7S/c1-18(2,3)17(24)27-10-26-16(23)13-19(4,5)28-15-11(14(22)20(13)15)8-7-9-12(21)25-6/h7-9,13,15H,10H2,1-6H3/b9-7+,11-8-/t13-,15+/m0/s1 |
InChIKey |
DYAJJUSWSNITTO-JCYQYPCUSA-N |
Molecular Weight |
411.469 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)OC)=O)[H] |
SPLASH |
splash10-001i-9000000000-8f2c84043386616d0194 |
Source of Spectrum |
KC-1990-94-8 |
Synonyms |
Z,z-pivaloyloxymethyl 6-(3'-methoxycarbonylprop-2'-enyldene)-penicillance
[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6Z)-6-[(2E)-4-methoxy-4-oxo-2-butenylidene]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
Wiley ID |
1374038 |