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3,7-DIHYDROXY-3(4H)-ISOCADALEN-4-ONE
SpectraBase Compound ID 8pP6ep5D7jG
InChI InChI=1S/C15H18O3/c1-8(2)15(18)7-10(4)11-6-13(16)9(3)5-12(11)14(15)17/h5-8,16,18H,1-4H3/t15-/m0/s1
InChIKey KXIUPESKOQTYRQ-HNNXBMFYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TTNXU8dbTq
Name 3,7-DIHYDROXY-3(4H)-ISOCADALEN-4-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-8(2)15(18)7-10(4)11-6-13(16)9(3)5-12(11)14(15)17/h5-8,16,18H,1-4H3/t15-/m0/s1
InChIKey KXIUPESKOQTYRQ-HNNXBMFYSA-N
Literature Reference Author G.DELGADO,M.D.S.OLIVARES,M.I.CHAVEZ,T.RAMIREZ-APAN,E.LINARES ,R.BYE,F.J.ESPINOSA-
Literature Reference Citation J.NAT.PROD.,64,861(2001)
Literature Reference DOI 10.1021/np0005107
Molecular Weight 246.306 g/mol
Solvent CDCl3
Source File Reference UWSI1326