![3-(hydroxymethyl)-7-{{3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl}carboxamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, tert-butyl ester, diacetate (ester)](/api/spectrum/20CV8RvNBdP/structure.png?h=300&w=458 "3-(hydroxymethyl)-7-{{3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl}carboxamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, tert-butyl ester, diacetate (ester)")
| SpectraBase Compound ID | BUUYrAPD7nr |
|---|---|
| InChI | InChI=1S/C30H34N4O10S3/c1-14(35)42-10-16-12-46-27-20(31-19(37)9-18-7-6-8-45-18)25(39)33(27)22(16)24(38)32-21-26(40)34-23(29(41)44-30(3,4)5)17(11-43-15(2)36)13-47-28(21)34/h6-8,20-21,27-28H,9-13H2,1-5H3,(H,31,37)(H,32,38)/t20-,21-,27-,28-/m1/s1 |
| InChIKey | PASZPQCGERNSTO-BGUKFENGSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C30H34N4O10S3 |
| Exact Mass | 706.143707 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20CV8RvNBdP |
|---|---|
| Name | 3-(hydroxymethyl)-7-{{3-(hydroxymethyl)-8-oxo-7-[2-(2-thienyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl}carboxamido}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, tert-butyl ester, diacetate (ester) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H34N4O10S3 |
| InChI | InChI=1S/C30H34N4O10S3/c1-14(35)42-10-16-12-46-27-20(31-19(37)9-18-7-6-8-45-18)25(39)33(27)22(16)24(38)32-21-26(40)34-23(29(41)44-30(3,4)5)17(11-43-15(2)36)13-47-28(21)34/h6-8,20-21,27-28H,9-13H2,1-5H3,(H,31,37)(H,32,38)/t20-,21-,27-,28-/m1/s1 |
| InChIKey | PASZPQCGERNSTO-BGUKFENGSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 40688M |
| Solvent | CDCl3 |