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A-262-B;COSMOMYCIN-B
SpectraBase Compound ID 7dvs5sxgyzq
InChI InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20+,23+,24-,26-,27-,28-,29+,38-,39-,40+/m1/s1
InChIKey HBOXKYFBCPFWOK-SCYIUDKISA-N
Mol Weight 755.9 g/mol
Molecular Formula C40H53NO13
Exact Mass 755.351691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3z4521ryQQ
Name A-262-B;COSMOMYCIN-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H53NO13
InChI InChI=1S/C40H53NO13/c1-7-40(48)16-15-22-31(37(47)33-32(35(22)45)36(46)30-21(34(33)44)9-8-10-25(30)43)39(40)54-29-17-23(41(5)6)38(20(4)51-29)53-28-14-12-26(19(3)50-28)52-27-13-11-24(42)18(2)49-27/h8-10,18-20,23-24,26-29,38-39,42-43,45,47-48H,7,11-17H2,1-6H3/t18-,19-,20+,23+,24-,26-,27-,28-,29+,38-,39-,40+/m1/s1
InChIKey HBOXKYFBCPFWOK-SCYIUDKISA-N
Literature Reference Author O.JOHDO,T.ISHIKURA,A.YOSHIMOTO,T.TAKEUCHI
Literature Reference Citation J.ANTIBIOTICS,44,1110(1991)
Literature Reference DOI 10.7164/antibiotics.44.1110
Molecular Weight 755.860 g/mol
Sample ID 66555
Solvent CDCl3