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[4-NITROPHENYL-2-[(ETOPOSIDE-4'-O-CARBONYL)-METHYLAMINO]-BETA-D-GLUCOPYRANOSID]-URONIC-ACID
SpectraBase Compound ID L0BjpZKjudG
InChI InChI=1S/C43H46N2O23/c1-15-59-13-27-37(63-15)32(48)34(50)42(65-27)66-35-19-11-24-23(61-14-62-24)10-18(19)28(29-20(35)12-60-40(29)53)16-7-25(57-3)36(26(8-16)58-4)68-43(54)44(2)21-9-17(45(55)56)5-6-22(21)64-41-33(49)30(46)31(47)38(67-41)39(51)52/h5-11,15,20,27-35,37-38,41-42,46-50H,12-14H2,1-4H3,(H,51,52)/t15-,20+,27-,28-,29+,30-,31-,32-,33+,34-,35-,37-,38-,41+,42+/m0/s1
InChIKey GXJMKQZJNZEDKU-MZJAODKASA-N
Mol Weight 958.8 g/mol
Molecular Formula C43H46N2O23
Exact Mass 958.249136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZEJbtAOhZo
Name [4-NITROPHENYL-2-[(ETOPOSIDE-4'-O-CARBONYL)-METHYLAMINO]-BETA-D-GLUCOPYRANOSID]-URONIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H46N2O23
InChI InChI=1S/C43H46N2O23/c1-15-59-13-27-37(63-15)32(48)34(50)42(65-27)66-35-19-11-24-23(61-14-62-24)10-18(19)28(29-20(35)12-60-40(29)53)16-7-25(57-3)36(26(8-16)58-4)68-43(54)44(2)21-9-17(45(55)56)5-6-22(21)64-41-33(49)30(46)31(47)38(67-41)39(51)52/h5-11,15,20,27-35,37-38,41-42,46-50H,12-14H2,1-4H3,(H,51,52)/t15-,20+,27-,28-,29+,30-,31-,32-,33+,34-,35-,37-,38-,41+,42+/m0/s1
InChIKey GXJMKQZJNZEDKU-MZJAODKASA-N
Literature Reference Author F.SCHMIDT,C.MONNERET
Literature Reference Citation BIOORG.MED.CHEM.,11,2277(2003)
Literature Reference DOI 10.1016/S0968-0896(03)00108-1
Molecular Weight 958.838 g/mol
Sample ID 29305
Solvent DMSO-D6