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BFBXTCGECAYJPM-UHFFFAOYSA-N

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BFBXTCGECAYJPM-UHFFFAOYSA-N
SpectraBase Compound ID JaO5F2rcC0h
InChI InChI=1S/C34H38N4O10S2/c1-32(2)24(30(44)46-5)37-26(42)22(28(37)49-32)35-20(40)12-15-7-8-18-17(11-15)34(10-9-16(39)13-19(34)48-18)14-21(41)36-23-27(43)38-25(31(45)47-6)33(3,4)50-29(23)38/h7-11,19,22-25,28-29H,12-14H2,1-6H3,(H,35,40)(H,36,41)
InChIKey BFBXTCGECAYJPM-UHFFFAOYSA-N
Mol Weight 726.8 g/mol
Molecular Formula C34H38N4O10S2
Exact Mass 726.202936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wKWSLY4bIn
Name BFBXTCGECAYJPM-UHFFFAOYSA-N
Compound Number XML-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H38N4O10S2
InChI InChI=1S/C34H38N4O10S2/c1-32(2)24(30(44)46-5)37-26(42)22(28(37)49-32)35-20(40)12-15-7-8-18-17(11-15)34(10-9-16(39)13-19(34)48-18)14-21(41)36-23-27(43)38-25(31(45)47-6)33(3,4)50-29(23)38/h7-11,19,22-25,28-29H,12-14H2,1-6H3,(H,35,40)(H,36,41)
InChIKey BFBXTCGECAYJPM-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 726.817 g/mol
Sample ID 53438
Solvent CDCl3