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GHNZEPLNWVPFGI-BYPFFYRQSA-N
SpectraBase Compound ID 39ymyFvCHrQ
InChI InChI=1S/C74H86ClN2O25P/c1-48(78)77-65-69(97-51(4)81)67(91-42-57-31-18-10-19-32-57)63(45-87-49(2)79)100-72(65)92-44-61(88-39-54-25-12-7-13-26-54)66(90-41-56-29-16-9-17-30-56)62(89-40-55-27-14-8-15-28-55)46-94-103(85,102-60-36-23-22-35-59(60)75)95-47-64-68(96-50(3)80)70(98-52(5)82)71(99-53(6)83)73(101-64)86-38-24-37-76-74(84)93-43-58-33-20-11-21-34-58/h7-23,25-36,61-73H,24,37-47H2,1-6H3,(H,76,84)(H,77,78)/t61?,62?,63-,64-,65-,66?,67+,68-,69-,70+,71-,72-,73-,103?/m0/s1
InChIKey GHNZEPLNWVPFGI-BYPFFYRQSA-N
Mol Weight 1469.9 g/mol
Molecular Formula C74H86ClN2O25P
Exact Mass 1468.494581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DIzOCyACB3
Name GHNZEPLNWVPFGI-BYPFFYRQSA-N
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H86ClN2O25P
InChI InChI=1S/C74H86ClN2O25P/c1-48(78)77-65-69(97-51(4)81)67(91-42-57-31-18-10-19-32-57)63(45-87-49(2)79)100-72(65)92-44-61(88-39-54-25-12-7-13-26-54)66(90-41-56-29-16-9-17-30-56)62(89-40-55-27-14-8-15-28-55)46-94-103(85,102-60-36-23-22-35-59(60)75)95-47-64-68(96-50(3)80)70(98-52(5)82)71(99-53(6)83)73(101-64)86-38-24-37-76-74(84)93-43-58-33-20-11-21-34-58/h7-23,25-36,61-73H,24,37-47H2,1-6H3,(H,76,84)(H,77,78)/t61?,62?,63-,64-,65-,66?,67+,68-,69-,70+,71-,72-,73-,103?/m0/s1
InChIKey GHNZEPLNWVPFGI-BYPFFYRQSA-N
Literature Reference Author J.P.G.HERMANS,C.E.DREEF,P.HOOGERHOUT,G.A.VANDERMAREL,J.H.VAN BOOM
Literature Reference Citation REC.TR.CH.P.-B.,107,600(1988)
Literature Reference DOI 10.1002/recl.19881071006
Molecular Weight 1469.922 g/mol
Solvent CDCl3
Source File Reference UWED3842