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HELIANTRIOL__3-MYRISTATE
SpectraBase Compound ID DabFnJlMZYk
InChI InChI=1S/C44H76O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(47)48-37-25-26-41(6)33(40(37,4)5)24-27-42(7)34(41)23-22-32-39-31(3)30(2)28-35(45)44(39,9)36(46)29-43(32,42)8/h28,31-37,39,45-46H,10-27,29H2,1-9H3
InChIKey TUWWMIKFGGSYFW-UHFFFAOYSA-N
Mol Weight 669.1 g/mol
Molecular Formula C44H76O4
Exact Mass 668.574361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fQv69xzLgs
Name HELIANTRIOL__3-MYRISTATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H76O4
InChI InChI=1S/C44H76O4/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(47)48-37-25-26-41(6)33(40(37,4)5)24-27-42(7)34(41)23-22-32-39-31(3)30(2)28-35(45)44(39,9)36(46)29-43(32,42)8/h28,31-37,39,45-46H,10-27,29H2,1-9H3
InChIKey TUWWMIKFGGSYFW-UHFFFAOYSA-N
Literature Reference Author T.J.SCHMIDT,J.VONRAISON,G.WILLUHN
Literature Reference Citation PLANTA.MED.,70,967(2004)
Literature Reference DOI 10.1055/s-2004-832624
Molecular Weight 669.085 g/mol
Solvent CDCl3
Source File Reference UWMZ48493