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MELANOXYLIN-B
SpectraBase Compound ID HzWBIWtuNTu
InChI InChI=1S/C42H30O9/c43-25-7-1-20(2-8-25)31-16-24-15-30(48)18-34-35(24)38(41(50-34)22-5-11-27(45)12-6-22)32-19-33(49)39-36(23-13-28(46)17-29(47)14-23)40(51-42(39)37(31)32)21-3-9-26(44)10-4-21/h1-19,36,38,40-41,43-49H/t36-,38+,40+,41-/m1/s1
InChIKey AYDHZBQRJGDSHM-XOUHIXDHSA-N
Mol Weight 678.7 g/mol
Molecular Formula C42H30O9
Exact Mass 678.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kl2CmWvJc7B
Name MELANOXYLIN-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H30O9
InChI InChI=1S/C42H30O9/c43-25-7-1-20(2-8-25)31-16-24-15-30(48)18-34-35(24)38(41(50-34)22-5-11-27(45)12-6-22)32-19-33(49)39-36(23-13-28(46)17-29(47)14-23)40(51-42(39)37(31)32)21-3-9-26(44)10-4-21/h1-19,36,38,40-41,43-49H/t36-,38+,40+,41-/m1/s1
InChIKey AYDHZBQRJGDSHM-XOUHIXDHSA-N
Literature Reference Author H.MATSUDA,Y.ASAO,S.NAKAMURA,M.HAMAO,S.SUGIMOTO,M.HONGO,Y.PON GPIRIYADACHA,M.YOSHI
Literature Reference Citation CHEM.PHARM.BULL.,57,487(2009)
Literature Reference DOI 10.1248/cpb.57.487
Molecular Weight 678.695 g/mol
Sample ID 2489
Solvent ACETONE-D6