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LONGISPINOGENIN_3-LAURATE
SpectraBase Compound ID 2jh01Wnr84U
InChI InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-22-23-39(6)32(38(35,4)5)21-24-40(7)33(39)20-19-30-31-27-37(2,3)25-26-42(31,29-43)34(44)28-41(30,40)8/h19,31-35,43-44H,9-18,20-29H2,1-8H3
InChIKey OCWQBKDABYCBPW-UHFFFAOYSA-N
Mol Weight 641.0 g/mol
Molecular Formula C42H72O4
Exact Mass 640.543061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8IjyfG8aTUQ
Name LONGISPINOGENIN_3-LAURATE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H72O4
InChI InChI=1S/C42H72O4/c1-9-10-11-12-13-14-15-16-17-18-36(45)46-35-22-23-39(6)32(38(35,4)5)21-24-40(7)33(39)20-19-30-31-27-37(2,3)25-26-42(31,29-43)34(44)28-41(30,40)8/h19,31-35,43-44H,9-18,20-29H2,1-8H3
InChIKey OCWQBKDABYCBPW-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 641.031 g/mol
Solvent CDCl3
Source File Reference UWMZ48501