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ASUKAMYCIN
SpectraBase Compound ID BYEWhVr0PE9
InChI InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1
InChIKey SSHVAUUEPNULMP-JHWDTTIQSA-N
Mol Weight 546.6 g/mol
Molecular Formula C31H34N2O7
Exact Mass 546.236601 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yPqZrSp4eZ
Name ASUKAMYCIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34N2O7
InChI InChI=1S/C31H34N2O7/c34-23-17-18-24(35)27(23)33-26(37)16-10-3-4-11-19-31(39)20-22(28(38)29-30(31)40-29)32-25(36)15-9-2-1-6-12-21-13-7-5-8-14-21/h1-4,6,9-12,15-16,19-21,29-30,34,39H,5,7-8,13-14,17-18H2,(H,32,36)(H,33,37)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t29-,30-,31+/m1/s1
InChIKey SSHVAUUEPNULMP-JHWDTTIQSA-N
Literature Reference Author R.THIERICKE,A.ZEECK,A.NAKAGAWA,S.OMURA,R.E.HERROLD,S.T.S.WU, J.M.BEALE,H.G.FLOSS
Literature Reference Citation J.AM.CHEM.SOC.,112,3979(1990)
Literature Reference DOI 10.1021/ja00166a039
Molecular Weight 546.620 g/mol
Solvent CDCl3
Source File Reference UWRU6691