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(6-STROBILACTONE-B)-ESTER_OF-(E,E)-6-OXO-2,5-HEXADIENIOC_ACID
SpectraBase Compound ID 3KgX3oOdma0
InChI InChI=1S/C21H26O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,11-12,15,17,25H,7,9-10,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
InChIKey NTEIYTQTTHYBTI-BEFOBABASA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lk77KJjkwlA
Name (6-STROBILACTONE-B)-ESTER_OF-(E,E)-6-OXO-2,5-HEXADIENIOC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-19(2)9-7-10-20(3)17(19)15(27-16(23)8-5-4-6-11-22)12-14-13-26-18(24)21(14,20)25/h4-6,8,11-12,15,17,25H,7,9-10,13H2,1-3H3/b6-4+,8-5+/t15-,17+,20+,21+/m1/s1
InChIKey NTEIYTQTTHYBTI-BEFOBABASA-N
Literature Reference Author H.LIU,R.A.EDRADA-EBEL,R.EBEL,Y.WANG,B.SCHULZ,S.DRAEGER,W.E.G .MUELLER,V.WRAY,W.LI
Literature Reference Citation J.NAT.PROD.,72,1585(2009)
Literature Reference DOI 10.1021/np900220r
Molecular Weight 374.434 g/mol
Sample ID 33475
Solvent DMSO-D6