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KANCHANAMYCIN-D
SpectraBase Compound ID BkpCGi4Vsb8
InChI InChI=1S/C55H92N2O18/c1-33-17-13-14-21-50(68)74-52(36(4)18-12-10-8-9-11-15-24-57-54(56)71)37(5)20-16-19-34(2)44(61)27-40(59)25-39(58)26-41(73-51(69)31-49(66)67)28-42-29-47(64)53(70)55(72-7,75-42)32-48(65)35(3)22-23-43(60)38(6)46(63)30-45(33)62/h8-9,13-14,16-17,19-21,33,35-48,52-53,58-65,70H,10-12,15,18,22-32H2,1-7H3,(H,66,67)(H3,56,57,71)/b9-8+,17-13+,20-16+,21-14+,34-19+
InChIKey OSYCGXNFXHMGMC-PSVQOQQQSA-N
Mol Weight 1069.3 g/mol
Molecular Formula C55H92N2O18
Exact Mass 1068.634514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpbFymQnxnS
Name KANCHANAMYCIN-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H92N2O18
InChI InChI=1S/C55H92N2O18/c1-33-17-13-14-21-50(68)74-52(36(4)18-12-10-8-9-11-15-24-57-54(56)71)37(5)20-16-19-34(2)44(61)27-40(59)25-39(58)26-41(73-51(69)31-49(66)67)28-42-29-47(64)53(70)55(72-7,75-42)32-48(65)35(3)22-23-43(60)38(6)46(63)30-45(33)62/h8-9,13-14,16-17,19-21,33,35-48,52-53,58-65,70H,10-12,15,18,22-32H2,1-7H3,(H,66,67)(H3,56,57,71)/b9-8+,17-13+,20-16+,21-14+,34-19+
InChIKey OSYCGXNFXHMGMC-PSVQOQQQSA-N
Literature Reference Author H.STEPHAN,C.KEMPTER,J.W.METZGER,G.JUNG,O.POTTERAT,C.PFEFFERL E,H.P.FIEDLER
Literature Reference Citation J.ANTIBIOTICS,49,765(1996)
Literature Reference DOI 10.7164/antibiotics.49.765
Molecular Weight 1069.338 g/mol
Solvent DMSO
Source File Reference UWBS4