John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CP4HQslylKl SpectraBase Spectrum ID=1id6KeApPgQ

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SOROCENOL_H
SpectraBase Compound ID CP4HQslylKl
InChI InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36+/m0/s1
InChIKey SEHVRKPXIDOTRX-CMUUVTEDSA-N
Mol Weight 648.7 g/mol
Molecular Formula C39H36O9
Exact Mass 648.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1id6KeApPgQ
Name SOROCENOL_H
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H36O9
InChI InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36+/m0/s1
InChIKey SEHVRKPXIDOTRX-CMUUVTEDSA-N
Literature Reference Author S.A.ROSS,R.RODRIGUEZ-GUZMAN,M.M.RADWAN,M.JACOB,Y.DING,X.C.LI ,D.FERREIRA,S.P.MAN
Literature Reference Citation J.NAT.PROD.,71,1764(2008)
Literature Reference DOI 10.1021/np800446g
Molecular Weight 648.709 g/mol
Sample ID 29194
Solvent ACETONE-D6
SpectraBase Batch ID CGNbtDbnxwg