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NAHOCOL-B;METHYL-5-HYDROXY-2-(O)-[12'-OXO-3',7',11',15'-TETRAMETHYL-1',6'(E),14'-HEXADECATRIEN-3'-YL]-PHENYLACETATE
SpectraBase Compound ID XT1bIQoG77
InChI InChI=1S/C29H42O5/c1-8-29(6,34-27-17-15-25(30)19-24(27)20-28(32)33-7)18-10-12-22(4)11-9-13-23(5)26(31)16-14-21(2)3/h8,12,14-15,17,19,23,30H,1,9-11,13,16,18,20H2,2-7H3/b22-12+
InChIKey YMFSSKIJSZRDHG-WSDLNYQXSA-N
Mol Weight 470.7 g/mol
Molecular Formula C29H42O5
Exact Mass 470.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KO7tC5saDTd
Name NAHOCOL-B;METHYL-5-HYDROXY-2-(O)-[12'-OXO-3',7',11',15'-TETRAMETHYL-1',6'(E),14'-HEXADECATRIEN-3'-YL]-PHENYLACETATE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O5
InChI InChI=1S/C29H42O5/c1-8-29(6,34-27-17-15-25(30)19-24(27)20-28(32)33-7)18-10-12-22(4)11-9-13-23(5)26(31)16-14-21(2)3/h8,12,14-15,17,19,23,30H,1,9-11,13,16,18,20H2,2-7H3/b22-12+
InChIKey YMFSSKIJSZRDHG-WSDLNYQXSA-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 470.649 g/mol
Solvent CDCl3
Source File Reference UWMS1293