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SEC-HYDROXYAEGINETIC-ACID;5-[(1'R,2'R,5'S)-1',2',5'-TRIHYDROXY-2',6',6'-TRIMETHYL-1'-CYCLOHEXYL]-3-METHYL-2E,4E-PENTA-DIENOIC-ACID

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SEC-HYDROXYAEGINETIC-ACID;5-[(1'R,2'R,5'S)-1',2',5'-TRIHYDROXY-2',6',6'-TRIMETHYL-1'-CYCLOHEXYL]-3-METHYL-2E,4E-PENTA-DIENOIC-ACID
SpectraBase Compound ID 8MVB4E1joEq
InChI InChI=1S/C15H24O5/c1-10(9-12(17)18)5-8-15(20)13(2,3)11(16)6-7-14(15,4)19/h5,8-9,11,16,19-20H,6-7H2,1-4H3,(H,17,18)/b8-5+,10-9+/t11-,14+,15+/m0/s1
InChIKey REBVVIXEBBWIHO-DNWRCJROSA-N
Mol Weight 284.35 g/mol
Molecular Formula C15H24O5
Exact Mass 284.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pTXQSu1K9B
Name SEC-HYDROXYAEGINETIC-ACID;5-[(1'R,2'R,5'S)-1',2',5'-TRIHYDROXY-2',6',6'-TRIMETHYL-1'-CYCLOHEXYL]-3-METHYL-2E,4E-PENTA-DIENOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H24O5
InChI InChI=1S/C15H24O5/c1-10(9-12(17)18)5-8-15(20)13(2,3)11(16)6-7-14(15,4)19/h5,8-9,11,16,19-20H,6-7H2,1-4H3,(H,17,18)/b8-5+,10-9+/t11-,14+,15+/m0/s1
InChIKey REBVVIXEBBWIHO-DNWRCJROSA-N
Literature Reference Author H.SASAKI,T.MOROTA,H.NISHIMURA,T.OGINO,T.KATSUHARA,K.SUGAMA,M .CHIN,H.MITSUHASHI
Literature Reference Citation PHYTOCHEM.,30,1997(1991)
Literature Reference DOI 10.1016/0031-9422(91)85055-5
Molecular Weight 284.353 g/mol
Solvent CD3OD
Source File Reference UWLU27659