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(-)-(1-S*,4-S*,10-R*)-1,4-DIHYDROXYCEMBRA-2-E,7-E,11-Z-TRIEN-20,10-OLIDE
SpectraBase Compound ID 2Iq2X82tDbn
InChI InChI=1S/C20H30O4/c1-14(2)20(23)9-7-16-13-17(24-18(16)21)12-15(3)6-5-8-19(4,22)10-11-20/h6,10-11,13-14,17,22-23H,5,7-9,12H2,1-4H3/b11-10+,15-6+/t17-,19-,20-/m1/s1
InChIKey BPBFBKOCADVWMK-IZUAKNLWSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20tHNUulLKW
Name (-)-(1-S*,4-S*,10-R*)-1,4-DIHYDROXYCEMBRA-2-E,7-E,11-Z-TRIEN-20,10-OLIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-14(2)20(23)9-7-16-13-17(24-18(16)21)12-15(3)6-5-8-19(4,22)10-11-20/h6,10-11,13-14,17,22-23H,5,7-9,12H2,1-4H3/b11-10+,15-6+/t17-,19-,20-/m1/s1
InChIKey BPBFBKOCADVWMK-IZUAKNLWSA-N
Literature Reference Author M.K.LANGAT,N.R.CROUCH,P.J.SMITH,D.A.MULHOLLAND
Literature Reference Citation J.NAT.PROD.,74,2349(2011)
Literature Reference DOI 10.1021/np2002012
Molecular Weight 334.456 g/mol
Sample ID 39514
Solvent CDCl3