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TMC-2A

View entire compound with spectra: 1 NMR

TMC-2A
SpectraBase Compound ID ANhroIXKef3
InChI InChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40)/t19-,21+,22+/m0/s1
InChIKey ODKDMMTXTVCCLJ-KSEOMHKRSA-N
Mol Weight 570.6 g/mol
Molecular Formula C28H34N4O9
Exact Mass 570.232579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nYgP4hJmkO
Name TMC-2A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N4O9
InChI InChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40)/t19-,21+,22+/m0/s1
InChIKey ODKDMMTXTVCCLJ-KSEOMHKRSA-N
Literature Reference Author Y.ASAI,N.NONAKA,M.NISHINO,K.OKAMURA,T.DATE,T.SUGITA,T.OHNUKI ,S.KOMATSUBARA
Literature Reference Citation J.ANTIBIOTICS,50,653(1997)
Literature Reference DOI 10.7164/antibiotics.50.653
Molecular Weight 570.599 g/mol
Solvent D2O
Source File Reference UWCS24866