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3-BETA-Z-COUMAROYLLUPEOL
SpectraBase Compound ID 8bf5J9LPZEG
InChI InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11-/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1
InChIKey LUJLGKGMUFEQQU-UITYVUBJSA-N
Mol Weight 572.9 g/mol
Molecular Formula C39H56O3
Exact Mass 572.422946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5AR2ad3G48
Name 3-BETA-Z-COUMAROYLLUPEOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H56O3
InChI InChI=1S/C39H56O3/c1-25(2)28-17-20-36(5)23-24-38(7)29(34(28)36)14-15-31-37(6)21-19-32(35(3,4)30(37)18-22-39(31,38)8)42-33(41)16-11-26-9-12-27(40)13-10-26/h9-13,16,28-32,34,40H,1,14-15,17-24H2,2-8H3/b16-11-/t28-,29+,30-,31+,32-,34+,36+,37-,38+,39+/m0/s1
InChIKey LUJLGKGMUFEQQU-UITYVUBJSA-N
Literature Reference Author C.KARALAI,S.LAPHOOKHIEO
Literature Reference Citation AUSTR.J.CHEM.,58,556(2005)
Literature Reference DOI 10.1071/CH05010
Molecular Weight 572.872 g/mol
Sample ID 28971
Solvent CDCl3