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ISOXANTHOCHYMOL

View entire compound with spectra: 1 NMR

ISOXANTHOCHYMOL
SpectraBase Compound ID LJOmXCngXGj
InChI InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m0/s1
InChIKey KXTNVBQRLRYVCO-MWVHARJDSA-N
Mol Weight 602.8 g/mol
Molecular Formula C38H50O6
Exact Mass 602.360739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SEiHOCSF64
Name ISOXANTHOCHYMOL
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50O6
InChI InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27+,37+,38+/m0/s1
InChIKey KXTNVBQRLRYVCO-MWVHARJDSA-N
Literature Reference Author D.ROUX,H.A.HADI,S.THORET,D.GUENARD,O.THOISON,M.PAIS,T.SEVENE T
Literature Reference Citation J.NAT.PROD.,63,1070(2000)
Literature Reference DOI 10.1021/np0000872
Molecular Weight 602.811 g/mol
Solvent CDCl3