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MONO-(6-STROBILACTONE-B)-ESTER_OF-(E,E)-2,4-HEXADIENEDIOIC_ACID
SpectraBase Compound ID JQ8i7fD70tg
InChI InChI=1S/C21H26O7/c1-19(2)9-6-10-20(3)17(19)14(11-13-12-27-18(25)21(13,20)26)28-16(24)8-5-4-7-15(22)23/h4-5,7-8,11,14,17,26H,6,9-10,12H2,1-3H3,(H,22,23)/b7-4+,8-5+/t14-,17+,20+,21+/m1/s1
InChIKey WWELYLJKFRXUQW-BHEWPMNNSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LgmlZGkYHdE
Name MONO-(6-STROBILACTONE-B)-ESTER_OF-(E,E)-2,4-HEXADIENEDIOIC_ACID
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-19(2)9-6-10-20(3)17(19)14(11-13-12-27-18(25)21(13,20)26)28-16(24)8-5-4-7-15(22)23/h4-5,7-8,11,14,17,26H,6,9-10,12H2,1-3H3,(H,22,23)/b7-4+,8-5+/t14-,17+,20+,21+/m1/s1
InChIKey WWELYLJKFRXUQW-BHEWPMNNSA-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 390.433 g/mol
Sample ID 33474
Solvent DMSO-D6