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PALMITOYL-ARUCADIOL;1,2,3,4-TETRAHYDRO-5-HYDROXY-7-ISOPROPYL-1,1-DIMETHYL-4-OXOPHENANTHREN-6-YL-PALMITATE
SpectraBase Compound ID 4tDBagncct2
InChI InChI=1S/C35H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)39-34-27(25(2)3)24-26-20-21-28-32(31(26)33(34)38)29(36)22-23-35(28,4)5/h20-21,24-25,38H,6-19,22-23H2,1-5H3
InChIKey RVIVTXRCWKEIJS-UHFFFAOYSA-N
Mol Weight 536.8 g/mol
Molecular Formula C35H52O4
Exact Mass 536.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqYCBCoc6po
Name PALMITOYL-ARUCADIOL;1,2,3,4-TETRAHYDRO-5-HYDROXY-7-ISOPROPYL-1,1-DIMETHYL-4-OXOPHENANTHREN-6-YL-PALMITATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O4
InChI InChI=1S/C35H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)39-34-27(25(2)3)24-26-20-21-28-32(31(26)33(34)38)29(36)22-23-35(28,4)5/h20-21,24-25,38H,6-19,22-23H2,1-5H3
InChIKey RVIVTXRCWKEIJS-UHFFFAOYSA-N
Literature Reference Author M.J.DON,C.C.SHEN,W.SYU,Y.H.DING,C.M.SUN
Literature Reference Citation PHYTOCHEM.,67,497(2006)
Literature Reference DOI 10.1016/j.phytochem.2005.11.005
Molecular Weight 536.795 g/mol
Sample ID 66093
Solvent CDCl3