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BISAPRASIN

View entire compound with spectra: 2 NMR

BISAPRASIN
SpectraBase Compound ID AoCQWrE78Pr
InChI InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)/b53-33-,54-34-,55-35-,56-36-
InChIKey VVFUCWCIWIOTJW-HGZUJJSDSA-N
Mol Weight 1326.8 g/mol
Molecular Formula C44H46Br4N8O12S4
Exact Mass 1321.885156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmVFd0fRway
Name BISAPRASIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H42Br4N8O12S4
InChI InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)/b53-33-,54-34-,55-35-,56-36-
InChIKey VVFUCWCIWIOTJW-HGZUJJSDSA-N
Literature Reference Author J.N.TABUDRAVU,V.G.H.EIHSINK,G.W.GOODAY,M.JASPARS,D.KOMANDER, M.LEGG,B.SYNSTAD,D.
Literature Reference Citation BIOORG.MED.CHEM.,10,1123(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00372-8
Molecular Weight 1322.720 g/mol
Solvent CD3OD
Source File Reference UWLU31044