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NAHOCOL-A;METHYL-5-HYDROXY-2-(O)-[13'-HYDROXY-12'-OXO-3',7',11',15'-TETRAMETHYL-1',6'(E),14-HEXADECATRIEN-3'-YL]-PHENYLACETATE

View entire compound with spectra: 1 NMR

NAHOCOL-A;METHYL-5-HYDROXY-2-(O)-[13'-HYDROXY-12'-OXO-3',7',11',15'-TETRAMETHYL-1',6'(E),14-HEXADECATRIEN-3'-YL]-PHENYLACETATE
SpectraBase Compound ID 1Fa9DFLDCIB
InChI InChI=1S/C29H42O6/c1-8-29(6,35-26-15-14-24(30)18-23(26)19-27(32)34-7)16-10-12-21(4)11-9-13-22(5)28(33)25(31)17-20(2)3/h8,12,14-15,17-18,22,25,30-31H,1,9-11,13,16,19H2,2-7H3/b21-12+
InChIKey KXTOXZSIGCDGHF-CIAFOILYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C29H42O6
Exact Mass 486.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4vNs5FgQtQ
Name NAHOCOL-A;METHYL-5-HYDROXY-2-(O)-[13'-HYDROXY-12'-OXO-3',7',11',15'-TETRAMETHYL-1',6'(E),14-HEXADECATRIEN-3'-YL]-PHENYLACETATE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O6
InChI InChI=1S/C29H42O6/c1-8-29(6,35-26-15-14-24(30)18-23(26)19-27(32)34-7)16-10-12-21(4)11-9-13-22(5)28(33)25(31)17-20(2)3/h8,12,14-15,17-18,22,25,30-31H,1,9-11,13,16,19H2,2-7H3/b21-12+
InChIKey KXTOXZSIGCDGHF-CIAFOILYSA-N
Literature Reference Author N.TSUCHIYA,A.SATO,H.HARUYAMA,T.WATANABE,Y.IIJIMA
Literature Reference Citation PHYTOCHEM.,48,1003(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00476-7
Molecular Weight 486.649 g/mol
Solvent CDCl3
Source File Reference UWMS1292