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ROTTLERONE

View entire compound with spectra: 1 NMR

ROTTLERONE
SpectraBase Compound ID 47AK2mVQpIv
InChI InChI=1S/C41H36O8/c1-40(2)21-19-26-34(44)28(36(46)32(38(26)48-40)30(42)17-15-24-11-7-5-8-12-24)23-29-35(45)27-20-22-41(3,4)49-39(27)33(37(29)47)31(43)18-16-25-13-9-6-10-14-25/h5-22,44-47H,23H2,1-4H3/b17-15+,18-16+
InChIKey IJKCXUXJEFCOBV-YTEMWHBBSA-N
Mol Weight 656.7 g/mol
Molecular Formula C41H36O8
Exact Mass 656.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qhb3i4GgHx
Name ROTTLERONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H36O8
InChI InChI=1S/C41H36O8/c1-40(2)21-19-26-34(44)28(36(46)32(38(26)48-40)30(42)17-15-24-11-7-5-8-12-24)23-29-35(45)27-20-22-41(3,4)49-39(27)33(37(29)47)31(43)18-16-25-13-9-6-10-14-25/h5-22,44-47H,23H2,1-4H3/b17-15+,18-16+
InChIKey IJKCXUXJEFCOBV-YTEMWHBBSA-N
Literature Reference Author S.K.JAIN,A.S.PATHANIA,S.MEENA,R.SHARMA,A.SHARMA,B.SINGH,B.D. GUPTA,S.BHUSHAN,S.B.
Literature Reference Citation J.NAT.PROD.,76,1724(2013)
Literature Reference DOI 10.1021/np400433g
Molecular Weight 656.732 g/mol
Solvent CDCl3
Source File Reference UWMZ43186