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CALENDULADIOL_3-MYRISTATE
SpectraBase Compound ID IU16M4Nrmp9
InChI InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3
InChIKey IHCDDIKRSYLACI-UHFFFAOYSA-N
Mol Weight 653.1 g/mol
Molecular Formula C44H76O3
Exact Mass 652.579446 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DUmO6EZOMi
Name CALENDULADIOL_3-MYRISTATE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H76O3
InChI InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3
InChIKey IHCDDIKRSYLACI-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 653.086 g/mol
Solvent CDCl3
Source File Reference UWMZ48509