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BPENQAXMHXRNMD-BHTPONCASA-N
SpectraBase Compound ID 8lVqUrBO40w
InChI InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,34+,35+,36+,37-/m1/s1
InChIKey BPENQAXMHXRNMD-BHTPONCASA-N
Mol Weight 730.9 g/mol
Molecular Formula C37H66N2O12
Exact Mass 730.461576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2wEkkAJj9Qw
Name BPENQAXMHXRNMD-BHTPONCASA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H66N2O12
InChI InChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/b38-32-/t18-,19-,20+,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-,34+,35+,36+,37-/m1/s1
InChIKey BPENQAXMHXRNMD-BHTPONCASA-N
Literature Reference Author G.LAZAREVSKI,G.KOBREHEL,B.METELKO,H.DUDDECK
Literature Reference Citation J.ANTIBIOTICS,49,1066(1996)
Literature Reference DOI 10.7164/antibiotics.49.1066
Molecular Weight 730.937 g/mol
Solvent CDCl3
Source File Reference UWMP1