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DURUMHEMIKETALOLIDE_A;(1-R*,3-R*,4-S*,14-S*,7-E,11-E)-14,18-DIHYDROXY-4,14-EPOXYCEMBRA-7,11,15-(17)-TRIEN-16,3-OLIDE
SpectraBase Compound ID 2erAzMAJzxK
InChI InChI=1S/C20H28O5/c1-13-6-4-7-14(2)11-20(23)16-10-17(24-18(22)15(16)3)19(12-21,25-20)9-5-8-13/h7-8,16-17,21,23H,3-6,9-12H2,1-2H3/b13-8+,14-7+/t16-,17-,19+,20+/m1/s1
InChIKey PNLRNCZZDLSFIR-JPMBRDTOSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAco3lmhLc8
Name DURUMHEMIKETALOLIDE_A;(1-R*,3-R*,4-S*,14-S*,7-E,11-E)-14,18-DIHYDROXY-4,14-EPOXYCEMBRA-7,11,15-(17)-TRIEN-16,3-OLIDE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-13-6-4-7-14(2)11-20(23)16-10-17(24-18(22)15(16)3)19(12-21,25-20)9-5-8-13/h7-8,16-17,21,23H,3-6,9-12H2,1-2H3/b13-8+,14-7+/t16-,17-,19+,20+/m1/s1
InChIKey PNLRNCZZDLSFIR-JPMBRDTOSA-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 348.439 g/mol
Sample ID 32074
Solvent CDCl3