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2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,5E)-4-ethyl-2-methyl-octa-1,5-dienyl]dioxan-3-yl]acetic acid methyl ester
SpectraBase Compound ID 9HzTZmPJmYI
InChI InChI=1S/C22H38O4/c1-7-11-12-18(8-2)13-17(5)15-22(10-4)16-19(9-3)20(25-26-22)14-21(23)24-6/h11-12,15,18-20H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20+,22-/m1/s1
InChIKey BUJRRZDBOYIMBT-LBBLSHNOSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID c27Kifd854
Name 2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,5E)-4-ethyl-2-methyl-octa-1,5-dienyl]dioxan-3-yl]acetic acid methyl ester
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-7-11-12-18(8-2)13-17(5)15-22(10-4)16-19(9-3)20(25-26-22)14-21(23)24-6/h11-12,15,18-20H,7-10,13-14,16H2,1-6H3/b12-11+,17-15+/t18?,19-,20+,22-/m1/s1
InChIKey BUJRRZDBOYIMBT-LBBLSHNOSA-N
Literature Reference Author A.FONTANA,M.ISHIBASHI,H.SHIGEMORI,J.KOBAYASHI
Literature Reference Citation J.NAT.PROD.,61,1427(1998)
Literature Reference DOI 10.1021/np980187w
Molecular Weight 366.541 g/mol
Solvent CDCl3
Source File Reference UWCS19587