John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6QlMkFAEy2I SpectraBase Spectrum ID=29WnJoz9b0n

(accessed ).
BOTTROMYCIN-A(2)
SpectraBase Compound ID 6QlMkFAEy2I
InChI InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)
InChIKey KSIZLOPUXFSFNR-UHFFFAOYSA-N
Mol Weight 823.1 g/mol
Molecular Formula C42H62N8O7S
Exact Mass 822.446219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29WnJoz9b0n
Name BOTTROMYCIN-A(2)
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H62N8O7S
InChI InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)
InChIKey KSIZLOPUXFSFNR-UHFFFAOYSA-N
Literature Reference Author M.KANEDA
Literature Reference Citation J.ANTIBIOTICS,45,792(1992)
Literature Reference DOI 10.7164/antibiotics.45.792
Molecular Weight 823.064 g/mol
Sample ID 45888
Solvent CDCl3
SpectraBase Batch ID Agbzauks7mU