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#5;NEOPETASAN;(3S,4AR,5S)-4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-2(3H)-NAPHTHALENONE;EREMOPHILA-9,11-DIEN-8-ONE;ALLOEREMOPHILONE

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#5;NEOPETASAN;(3S,4AR,5S)-4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-2(3H)-NAPHTHALENONE;EREMOPHILA-9,11-DIEN-8-ONE;ALLOEREMOPHILONE
SpectraBase Compound ID 2X5gPdTSXDI
InChI InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13-,15+/m0/s1
InChIKey DIZRSLUNVNGBPA-CORIIIEPSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5rAjYvdfhR
Name #5;NEOPETASAN;(3S,4AR,5S)-4,4A,5,6,7,8-HEXAHYDRO-4A,5-DIMETHYL-3-(1-METHYLETHENYL)-2(3H)-NAPHTHALENONE;EREMOPHILA-9,11-DIEN-8-ONE;ALLOEREMOPHILONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13-,15+/m0/s1
InChIKey DIZRSLUNVNGBPA-CORIIIEPSA-N
Literature Reference Author C.WANG,J.LI,R.YANG,Y.ZHAO,Y.CHENG,Z.ZHANG,L.HE
Literature Reference Citation REC.NAT.PROD.,8,156(2014)
Molecular Weight 218.339 g/mol
Solvent CDCl3
Source File Reference UWIR15829