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(+)-(1-S*,4-S*,7-R*,10-R*)-1,4,7-TRIHYDROXYCEMBRA-2-E,8-(19),11-Z-TRIEN-20,10-OLIDE
SpectraBase Compound ID uItNnirVI2
InChI InChI=1S/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17-,19+,20-/m1/s1
InChIKey LOIIZBXZZSSECJ-CLUKBVHOSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqntjR7PX2Z
Name (+)-(1-S*,4-S*,7-R*,10-R*)-1,4,7-TRIHYDROXYCEMBRA-2-E,8-(19),11-Z-TRIEN-20,10-OLIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17-,19+,20-/m1/s1
InChIKey LOIIZBXZZSSECJ-CLUKBVHOSA-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 350.455 g/mol
Sample ID 39519
Solvent CDCl3