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_id
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DNydQRoFSsW
spectrumID
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DNydQRoFSsW
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262144
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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10,10-SPIRO-[CYCLOHEXYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID 2qYew9cmOVM
InChI InChI=1S/C40H52N4O6/c1-7-24-26(9-3)38(49)43-32(24)20-30-22(5)28(14-16-34(45)46)36(41-30)40(18-12-11-13-19-40)37-29(15-17-35(47)48)23(6)31(42-37)21-33-25(8-2)27(10-4)39(50)44-33/h20-21,41-42H,7-19H2,1-6H3,(H,43,49)(H,44,50)(H,45,46)(H,47,48)/b32-20-,33-21-
InChIKey DEVUHTGMSLNSJP-DBNHBIGRSA-N
Mol Weight 684.9 g/mol
Molecular Formula C40H52N4O6
Exact Mass 684.388685 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNydQRoFSsW
Name 10,10-SPIRO-[CYCLOHEXYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N4O6
InChI InChI=1S/C40H52N4O6/c1-7-24-26(9-3)38(49)43-32(24)20-30-22(5)28(14-16-34(45)46)36(41-30)40(18-12-11-13-19-40)37-29(15-17-35(47)48)23(6)31(42-37)21-33-25(8-2)27(10-4)39(50)44-33/h20-21,41-42H,7-19H2,1-6H3,(H,43,49)(H,44,50)(H,45,46)(H,47,48)/b32-20-,33-21-
InChIKey DEVUHTGMSLNSJP-DBNHBIGRSA-N
Literature Reference Author B.GHOSH,V.J.CATALANO,D.A.LIGHTNER
Literature Reference Citation MH.CHEM.,135,1305(2004)
Literature Reference DOI 10.1007/s00706-004-0216-4
Molecular Weight 684.876 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11975
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