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6-[[2-[4-hydroxy-3-[2-hydroxy-5-[2-keto-2-[[7-keto-3,3-dimethyl-2-(pivaloyloxymethoxycarbonyl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]ethyl]phenyl]phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloylox

View entire compound with spectra: 1 NMR

6-[[2-[4-hydroxy-3-[2-hydroxy-5-[2-keto-2-[[7-keto-3,3-dimethyl-2-(pivaloyloxymethoxycarbonyl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]ethyl]phenyl]phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloylox
SpectraBase Compound ID ESUB0yt8HeM
InChI InChI=1S/C44H54N4O14S2/c1-41(2,3)39(57)61-19-59-37(55)31-43(7,8)63-35-29(33(53)47(31)35)45-27(51)17-21-11-13-25(49)23(15-21)24-16-22(12-14-26(24)50)18-28(52)46-30-34(54)48-32(44(9,10)64-36(30)48)38(56)60-20-62-40(58)42(4,5)6/h11-16,29-32,35-36,49-50H,17-20H2,1-10H3,(H,45,51)(H,46,52)
InChIKey VXCSZYBASZTPST-UHFFFAOYSA-N
Mol Weight 927.0 g/mol
Molecular Formula C44H54N4O14S2
Exact Mass 926.307795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3ai5l9Wb2O
Name 6-[[2-[4-hydroxy-3-[2-hydroxy-5-[2-keto-2-[[7-keto-3,3-dimethyl-2-(pivaloyloxymethoxycarbonyl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]ethyl]phenyl]phenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloylox
Compound Number XPL-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54N4O14S2
InChI InChI=1S/C44H54N4O14S2/c1-41(2,3)39(57)61-19-59-37(55)31-43(7,8)63-35-29(33(53)47(31)35)45-27(51)17-21-11-13-25(49)23(15-21)24-16-22(12-14-26(24)50)18-28(52)46-30-34(54)48-32(44(9,10)64-36(30)48)38(56)60-20-62-40(58)42(4,5)6/h11-16,29-32,35-36,49-50H,17-20H2,1-10H3,(H,45,51)(H,46,52)
InChIKey VXCSZYBASZTPST-UHFFFAOYSA-N
Literature Reference Author H.AGEMATU,T.TSUCHIDA,K.KOMINATO,N.SHIBAMOTO,T.YOSHIOKA,H.NIS HIDA,R.OKAMOTO,T.SHI
Literature Reference Citation J.ANTIBIOTICS,46,141(1993)
Literature Reference DOI 10.7164/antibiotics.46.141
Molecular Weight 927.051 g/mol
Sample ID 53441
Solvent CDCl3