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SMTP-8D
SpectraBase Compound ID DnZ7ZmCufUF
InChI InChI=1S/C52H70N2O10/c1-31(2)15-11-17-33(5)19-13-22-51(7)44(57)27-37-42(55)25-35-39(46(37)63-51)29-53(48(35)59)24-10-9-21-41(50(61)62)54-30-40-36(49(54)60)26-43(56)38-28-45(58)52(8,64-47(38)40)23-14-20-34(6)18-12-16-32(3)4/h15-16,19-20,25-26,41,44-45,55-58H,9-14,17-18,21-24,27-30H2,1-8H3,(H,61,62)/b33-19+,34-20+/t41-,44-,45-,51-,52-/m0/s1
InChIKey SJMBRLPDWBJVRZ-ZECUHGERSA-N
Mol Weight 883.1 g/mol
Molecular Formula C52H70N2O10
Exact Mass 882.503046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcJpN1xILhH
Name SMTP-8D
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H70N2O10
InChI InChI=1S/C52H70N2O10/c1-31(2)15-11-17-33(5)19-13-22-51(7)44(57)27-37-42(55)25-35-39(46(37)63-51)29-53(48(35)59)24-10-9-21-41(50(61)62)54-30-40-36(49(54)60)26-43(56)38-28-45(58)52(8,64-47(38)40)23-14-20-34(6)18-12-16-32(3)4/h15-16,19-20,25-26,41,44-45,55-58H,9-14,17-18,21-24,27-30H2,1-8H3,(H,61,62)/b33-19+,34-20+/t41-,44-,45-,51-,52-/m0/s1
InChIKey SJMBRLPDWBJVRZ-ZECUHGERSA-N
Literature Reference Author W.HU,Y.KITANO,K.HASUMI
Literature Reference Citation J.ANTIBIOTICS,56,832(2003)
Literature Reference DOI 10.7164/antibiotics.56.832
Molecular Weight 883.135 g/mol
Solvent DMSO-D6
Source File Reference UWKP3049