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(3S,9R,9aS)-3-hydroxy-3,5,5,9-tetramethyl-1,3,5,6,7,8,9,9a-octahydro-2H-benzo[7]annulen-2-one
SpectraBase Compound ID 2KtCiBtSosI
InChI InChI=1S/C15H24O2/c1-10-6-5-7-14(2,3)12-9-15(4,17)13(16)8-11(10)12/h9-11,17H,5-8H2,1-4H3/t10-,11+,15+/m1/s1
InChIKey QAPAQJXDVXZJFN-ZETOZRRWSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYXIIHXaTld
Name (3-S,9-R,9A-S)-3-HYDROXY-3,5,5,9-TETRAMETHYL-1,3,5,6,7,8,9,9A-OCTAHYDRO-2-H-BENZO-[7]-ANNULEN-2-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10-6-5-7-14(2,3)12-9-15(4,17)13(16)8-11(10)12/h9-11,17H,5-8H2,1-4H3/t10-,11+,15+/m1/s1
InChIKey QAPAQJXDVXZJFN-ZETOZRRWSA-N
Literature Reference Author R.J.BARTELT,B.W.ZILKOWSKI,A.A.COSSE,U.SCHNUPF,K.VERMILLION,F .A.MOMANY
Literature Reference Citation J.NAT.PROD.,74,585(2011)
Literature Reference DOI 10.1021/np100608p
Molecular Weight 236.354 g/mol
Sample ID 37372
Solvent C6D6