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10,10-SPIRO-[FLUORENYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID DZcjUbnFAyI
InChI InChI=1S/C47H50N4O6/c1-7-27-29(9-3)45(56)50-39(27)23-37-25(5)31(19-21-41(52)53)43(48-37)47(35-17-13-11-15-33(35)34-16-12-14-18-36(34)47)44-32(20-22-42(54)55)26(6)38(49-44)24-40-28(8-2)30(10-4)46(57)51-40/h11-18,23-24,48-49H,7-10,19-22H2,1-6H3,(H,50,56)(H,51,57)(H,52,53)(H,54,55)/b39-23-,40-24-
InChIKey UPGSWSSZNKJWBE-XCKRHRGHSA-N
Mol Weight 766.9 g/mol
Molecular Formula C47H50N4O6
Exact Mass 766.373035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpIHUraqiz0
Name 10,10-SPIRO-[FLUORENYL]-2,18-BISHOMOMESOBILIRUBIN-XIII-ALPHA
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H50N4O6
InChI InChI=1S/C47H50N4O6/c1-7-27-29(9-3)45(56)50-39(27)23-37-25(5)31(19-21-41(52)53)43(48-37)47(35-17-13-11-15-33(35)34-16-12-14-18-36(34)47)44-32(20-22-42(54)55)26(6)38(49-44)24-40-28(8-2)30(10-4)46(57)51-40/h11-18,23-24,48-49H,7-10,19-22H2,1-6H3,(H,50,56)(H,51,57)(H,52,53)(H,54,55)/b39-23-,40-24-
InChIKey UPGSWSSZNKJWBE-XCKRHRGHSA-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 766.937 g/mol
Solvent DMSO-D6
Source File Reference UWMZ11976