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FOUQUIEROL_3-LAURATE
SpectraBase Compound ID F9ZWKCtFhRo
InChI InChI=1S/C42H74O4/c1-10-11-12-13-14-15-16-17-18-19-37(44)46-36-25-26-39(6)34(38(36,4)5)24-28-41(8)35(39)21-20-31-32(22-27-40(31,41)7)42(9,45)29-23-33(43)30(2)3/h31-36,43,45H,2,10-29H2,1,3-9H3
InChIKey XNRKIMUVDMXMIV-UHFFFAOYSA-N
Mol Weight 643.1 g/mol
Molecular Formula C42H74O4
Exact Mass 642.558711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjT63GneMQQ
Name FOUQUIEROL_3-LAURATE
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H74O4
InChI InChI=1S/C42H74O4/c1-10-11-12-13-14-15-16-17-18-19-37(44)46-36-25-26-39(6)34(38(36,4)5)24-28-41(8)35(39)21-20-31-32(22-27-40(31,41)7)42(9,45)29-23-33(43)30(2)3/h31-36,43,45H,2,10-29H2,1,3-9H3
InChIKey XNRKIMUVDMXMIV-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 643.047 g/mol
Solvent CDCl3
Source File Reference UWMZ48518