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SPIRAMYCIN-3
SpectraBase Compound ID ABKiXcZWFqG
InChI InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27+,28-,29+,30-,31+,32+,33+,34-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46+/m1/s1
InChIKey HSZLKTCKAYXVBX-FGQOHAKPSA-N
Mol Weight 899.1 g/mol
Molecular Formula C46H78N2O15
Exact Mass 898.54022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zhLpJ98Xb8
Name SPIRAMYCIN-3
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H78N2O15
InChI InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27+,28-,29+,30-,31+,32+,33+,34-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46+/m1/s1
InChIKey HSZLKTCKAYXVBX-FGQOHAKPSA-N
Literature Reference Author S.OMURA,A.NAKAGAWA,A.NESZMELYI,S.D.GERO,A.M.SEPULCHRE,F.PIRI OU,G.LUKACS
Literature Reference Citation J.AM.CHEM.SOC.,97,4001(1975)
Literature Reference DOI 10.1021/ja00847a022
Molecular Weight 899.130 g/mol
Solvent CDCl3
Source File Reference UWCS13622