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ROCKIIOL-C

View entire compound with spectra: 1 NMR

ROCKIIOL-C
SpectraBase Compound ID BedvDBWyiRG
InChI InChI=1S/C42H30O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,40,43-50H/t33-,34+,35-,40+/m0/s1
InChIKey NNQNLVYNOGMKMH-URSNNPPXSA-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 2Ew3EelMdgG
Name ROCKIIOL-C
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H30O9
InChI InChI=1S/C42H30O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,40,43-50H/t33-,34+,35-,40+/m0/s1
InChIKey NNQNLVYNOGMKMH-URSNNPPXSA-N
Literature Reference Author P.LIU,Y.WANG,J.GAO,Z.LU,W.YIN,R.DENG
Literature Reference Citation MOLECULES,19,19549(2014)
Literature Reference DOI 10.3390/molecules191219549
Molecular Weight 678.695 g/mol
Solvent CD3OD
Source File Reference UWLU81595