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RHEUMLHASOL-A

View entire compound with spectra: 1 NMR

RHEUMLHASOL-A
SpectraBase Compound ID Iz7VsgmBbWy
InChI InChI=1S/C42H32O9/c43-28-8-4-24(5-9-28)41-38(26-16-30(45)20-31(46)17-26)34-13-22(3-12-36(34)50-41)1-2-23-14-35(49)40-37(15-23)51-42(25-6-10-29(44)11-7-25)39(40)27-18-32(47)21-33(48)19-27/h1-21,38-39,41-49H/b2-1-/t38-,39+,41-,42+/m1/s1
InChIKey ILKUAMNCIPRCGT-MUIHPRABSA-N
Mol Weight 680.7 g/mol
Molecular Formula C42H32O9
Exact Mass 680.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8k3dey3I6W6
Name RHEUMLHASOL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H32O9
InChI InChI=1S/C42H32O9/c43-28-8-4-24(5-9-28)41-38(26-16-30(45)20-31(46)17-26)34-13-22(3-12-36(34)50-41)1-2-23-14-35(49)40-37(15-23)51-42(25-6-10-29(44)11-7-25)39(40)27-18-32(47)21-33(48)19-27/h1-21,38-39,41-49H/b2-1-/t38-,39+,41-,42+/m1/s1
InChIKey ILKUAMNCIPRCGT-MUIHPRABSA-N
Literature Reference Author W.B.LIU,L.HU,Q.HU,N.N.CHEN,Q.S.YANG,F.F.WANG
Literature Reference Citation MOLECULES,18,7093(2013)
Literature Reference DOI 10.3390/molecules18067093
Molecular Weight 680.711 g/mol
Solvent CD3OD
Source File Reference UWBT9435