LBG00ukk:R:16402BC01:CBZ1Sk013

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Fatty acid (脂肪酸)

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IDs and Links
LipidBank	EEL0209
LipidMaps	[1]
CAS
KEGG	{{{KEGG}}}
KNApSAcK	{{{KNApSAcK}}}
mol	LBG00ukk:R:16402BC01:CBZ1Sk013

(S) -1-O- (tert-butyldimethylsilyl) -2-O-geranylgeranyl-3-O-benzylglycerol
Structural Information
Systematic Name	(S) -1-O- (tert-butyldimethylsilyl) -2-O-geranylgeranyl-3-O-benzylglycerol
Common Name	(S) -1-O- (tert-butyldimethylsilyl) -2-O-geranylgeranyl-3-O-benzylglycerol
Symbol
Formula	C39H72O3Si
Exact Mass	616.525072703
Average Mass	617.07268
SMILES	C(OC([H])CO[Si](C(C)(C)C)(C)C)C=C(CCC=C(CCC=C(C)CCC=C(C)C)C)C
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Refractive Index
Solubility
Source
Chemical Synthesis
Metabolism
Biological Activity
Genetic Information
Note
Spectral Information
Mass Spectra	(CI methane) 69(61.9), 81(40.9), 91(90.9), 109(15.5), 121(15.1), 137(18.9), 149(15.7), 163(7.4), 175(3.3), 189(8.6), 217(9.1), 239(11.4), 257(2.2), 273(19.4), 297(100), 568(M+1, 2.0)<<0174>>,
UV Spectra
IR Spectra
NMR Spectra	1H NMR (300MHz,CDCl3) 0.1(6H, s, 2CH3 on Si), 0.9(9H, s, 3CH3 on tert-butyl), 1.55-1.7(15H, m, 5CH3 on geranylgeranyl), 1.95-3.15(12H, br m, 6CH2 on geranylgeranyl), 3.45-3.70(5H, br m), 4.18[2H, d, J=6.7Hz H at C(1) on geranylgeranyl], 4.58(2H, s, CH2), 5.0-5.2[3H m, H at C(6), C(10) and C(14)], 5.4 [1H, t, J=6.7Hz H at C(2) on geranylgeranyl], 7.25(5H, br m) 13C NMR(75MHz, CDCl3)-5,2(q), 16.0(q), 16.5(q), 17.7(q), 18.2(q), 18.5(s), 25.2(q), 25.9(q), 26.37(t), 26.44(t), 27.8(t), 39.6(t), 39.7(t), 63.0(t), 66.9(t), 70.2(t), 73.5(t), 78.5(d), 121.2(d), 123.9(d), 124.2(d), 124.4(d), 127.46(d), 127.50(d), 128.3(d), 128.5(s), 132.0(s), 134.9(s), 135.2(s), 139.7(s)<<0174>>,
Other Spectra
Chromatograms	chromatography on silica (Rf=0.57, ethyl acetate-hexane(2:23) )<<0174>>,