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MS-681B
SpectraBase Compound ID 7FCWwl7V0Fg
InChI InChI=1S/C59H90N12O9/c1-11-58(9,69-49(74)40(3)64-52(77)56(5,6)71-53(78)57(7,8)68-50(75)46(65-41(4)72)36-43-27-18-14-19-28-43)54(79)63-39-48(73)67-47(37-44-29-20-15-21-30-44)51(76)70-59(10,12-2)55(80)66-45(35-42-25-16-13-17-26-42)38-62-34-24-33-61-32-23-22-31-60/h13-21,25-30,40,45-47,61-62H,11-12,22-24,31-39,60H2,1-10H3,(H,63,79)(H,64,77)(H,65,72)(H,66,80)(H,67,73)(H,68,75)(H,69,74)(H,70,76)(H,71,78)/t40-,45+,46+,47-,58?,59?/m1/s1
InChIKey VZDJIKIRSZPOGN-ALMOGAEISA-N
Mol Weight 1111.4 g/mol
Molecular Formula C59H90N12O9
Exact Mass 1110.695373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYsQzyHi92R
Name MS-681B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H90N12O9
InChI InChI=1S/C59H90N12O9/c1-11-58(9,69-49(74)40(3)64-52(77)56(5,6)71-53(78)57(7,8)68-50(75)46(65-41(4)72)36-43-27-18-14-19-28-43)54(79)63-39-48(73)67-47(37-44-29-20-15-21-30-44)51(76)70-59(10,12-2)55(80)66-45(35-42-25-16-13-17-26-42)38-62-34-24-33-61-32-23-22-31-60/h13-21,25-30,40,45-47,61-62H,11-12,22-24,31-39,60H2,1-10H3,(H,63,79)(H,64,77)(H,65,72)(H,66,80)(H,67,73)(H,68,75)(H,69,74)(H,70,76)(H,71,78)/t40-,45+,46+,47-,58?,59?/m1/s1
InChIKey VZDJIKIRSZPOGN-ALMOGAEISA-N
Literature Reference Author Y.IKUINA,C.BANDO,M.YOSHIDA,H.YANO,Y.SAITOH
Literature Reference Citation J.ANTIBIOTICS,50,998(1997)
Literature Reference DOI 10.7164/antibiotics.50.998
Molecular Weight 1111.439 g/mol
Solvent DMSO-D6
Source File Reference UWGE6154