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2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid
SpectraBase Compound ID 1KGtCBs92nA
InChI InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-11,13,16-18H,5-8,12,14-15H2,1-4H3,(H,21,22)/b11-9+,13-10+/t16?,17-,18+,20-/m1/s1
InChIKey APFBSUUYUMZERZ-XRQGYMCKSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQb7ICsUmZZ
Name 2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34O4
InChI InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-11,13,16-18H,5-8,12,14-15H2,1-4H3,(H,21,22)/b11-9+,13-10+/t16?,17-,18+,20-/m1/s1
InChIKey APFBSUUYUMZERZ-XRQGYMCKSA-N
Literature Reference Author Y.CHEN,P.J.MCCARTHY,D.K.HARMODY,R.SCHIMOLER-OROURKE,K.CHILSO N,C.SELITRENNIKOFF,S
Literature Reference Citation J.NAT.PROD.,65,1509(2002)
Literature Reference DOI 10.1021/np0200414
Molecular Weight 338.488 g/mol
Solvent CDCl3
Source File Reference UWBS1600