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HELIANTRIOL_A1_3-MYRISTATE

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HELIANTRIOL_A1_3-MYRISTATE
SpectraBase Compound ID 7LZNDtpXJSe
InChI InChI=1S/C44H76O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-38(47)48-37-24-25-41(6)34(40(37,4)5)23-26-42(7)35(41)22-21-32-33-29-39(2,3)27-28-44(33,31-45)36(46)30-43(32,42)8/h34-37,45-46H,9-31H2,1-8H3
InChIKey XDOXDXBURZPOTG-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 KgPxzpyowLS
Name HELIANTRIOL_A1_3-MYRISTATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H76O4
InChI InChI=1S/C44H76O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-38(47)48-37-24-25-41(6)34(40(37,4)5)23-26-42(7)35(41)22-21-32-33-29-39(2,3)27-28-44(33,31-45)36(46)30-43(32,42)8/h34-37,45-46H,9-31H2,1-8H3
InChIKey XDOXDXBURZPOTG-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 UWMZ48506