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SCH-643432
SpectraBase Compound ID CiPfEBAnLOb
InChI InChI=1S/C95H166N24O24/c1-32-33-34-35-36-37-38-39-40-45-62(120)51(4)73(131)119-47-42-44-61(119)72(130)114-93(26,27)82(141)117-95(30,31)84(143)118-94(28,29)83(142)116-90(20,21)77(136)105-53(6)65(123)101-55(8)67(125)113-89(18,19)80(139)108-60(48-50(2)3)71(129)103-57(10)69(127)111-87(14,15)76(135)104-52(5)64(122)100-54(7)66(124)112-88(16,17)79(138)107-59(43-41-46-98-85(96)97)70(128)102-56(9)68(126)110-86(12,13)75(134)99-49-63(121)109-92(24,25)81(140)115-91(22,23)78(137)106-58(11)74(132)133/h50-61H,32-49H2,1-31H3,(H,99,134)(H,100,122)(H,101,123)(H,102,128)(H,103,129)(H,104,135)(H,105,136)(H,106,137)(H,107,138)(H,108,139)(H,109,121)(H,110,126)(H,111,127)(H,112,124)(H,113,125)(H,114,130)(H,115,140)(H,116,142)(H,117,141)(H,118,143)(H,132,133)(H4,96,97,98)
InChIKey CXJDJLDEBDFQFX-UHFFFAOYSA-N
Mol Weight 2028.5 g/mol
Molecular Formula C95H166N24O24
Exact Mass 2027.250682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2t1ufG9l0J
Name SCH-643432
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C95H166N24O24
InChI InChI=1S/C95H166N24O24/c1-32-33-34-35-36-37-38-39-40-45-62(120)51(4)73(131)119-47-42-44-61(119)72(130)114-93(26,27)82(141)117-95(30,31)84(143)118-94(28,29)83(142)116-90(20,21)77(136)105-53(6)65(123)101-55(8)67(125)113-89(18,19)80(139)108-60(48-50(2)3)71(129)103-57(10)69(127)111-87(14,15)76(135)104-52(5)64(122)100-54(7)66(124)112-88(16,17)79(138)107-59(43-41-46-98-85(96)97)70(128)102-56(9)68(126)110-86(12,13)75(134)99-49-63(121)109-92(24,25)81(140)115-91(22,23)78(137)106-58(11)74(132)133/h50-61H,32-49H2,1-31H3,(H,99,134)(H,100,122)(H,101,123)(H,102,128)(H,103,129)(H,104,135)(H,105,136)(H,106,137)(H,107,138)(H,108,139)(H,109,121)(H,110,126)(H,111,127)(H,112,124)(H,113,125)(H,114,130)(H,115,140)(H,116,142)(H,117,141)(H,118,143)(H,132,133)(H4,96,97,98)
InChIKey CXJDJLDEBDFQFX-UHFFFAOYSA-N
Literature Reference Author V.R.HEGDE,J.SILVER,M.PATEL,V.P.GULLO,M.S.PUAR,P.R.DAS,D.LOEB ENBERG
Literature Reference Citation J.ANTIBIOTICS,56,437(2003)
Literature Reference DOI 10.7164/antibiotics.56.437
Molecular Weight 2028.509 g/mol
Solvent DMSO-D6
Source File Reference UWSI7536