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DURUMHEMIKETALOLIDE_B;(1-R*,3-R*,4-S*,14-S*,7-E,11-E)-18-ACETOXY-14-HYDROXY-4,14-EPOXYCEMBRA-7,11,15-(17)-TRIEN-16,3-OLIDE

View entire compound with spectra: 1 NMR

DURUMHEMIKETALOLIDE_B;(1-R*,3-R*,4-S*,14-S*,7-E,11-E)-18-ACETOXY-14-HYDROXY-4,14-EPOXYCEMBRA-7,11,15-(17)-TRIEN-16,3-OLIDE
SpectraBase Compound ID 5r2mglMJN5x
InChI InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t18-,19+,21+,22+/m1/s1
InChIKey KMXSIXIXRFATQL-PCHMHYNUSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6l4Nq41aBNv
Name DURUMHEMIKETALOLIDE_B;(1-R*,3-R*,4-S*,14-S*,7-E,11-E)-18-ACETOXY-14-HYDROXY-4,14-EPOXYCEMBRA-7,11,15-(17)-TRIEN-16,3-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t18-,19+,21+,22+/m1/s1
InChIKey KMXSIXIXRFATQL-PCHMHYNUSA-N
Literature Reference Author S.Y.CHENG,Z.H.WEN,S.K.WANG,S.F.CHIOU,C.H.HSU,C.F.DAI,M.Y.CHI ANG,C.Y.DUH
Literature Reference Citation J.NAT.PROD.,72,152(2009)
Literature Reference DOI 10.1021/np800686k
Molecular Weight 390.477 g/mol
Sample ID 32075
Solvent CDCl3