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(5S,6R,15S)-(7E,9E,11Z,13E)-15-O-tert-Butyldiphenylsilyl-5,6-O-carbonyl lipoxin A4 ethyl ester
SpectraBase Compound ID GvzVIsZpHji
InChI InChI=1S/C39H52O6Si/c1-6-8-15-23-32(45-46(39(3,4)5,33-25-17-13-18-26-33)34-27-19-14-20-28-34)24-16-11-9-10-12-21-29-35-36(44-38(41)43-35)30-22-31-37(40)42-7-2/h9-14,16-21,24-29,32,35-36H,6-8,15,22-23,30-31H2,1-5H3/b11-9-,12-10+,24-16+,29-21+/t32?,35-,36+/m1/s1
InChIKey OYTPEEBPWVSNDS-AUOVFWCQSA-N
Mol Weight 644.9 g/mol
Molecular Formula C39H52O6Si
Exact Mass 644.353316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B42tWWMJkv2
Name (5S,6R,15S)-(7E,9E,11Z,13E)-15-O-tert-Butyldiphenylsilyl-5,6-O-carbonyl lipoxin A4 ethyl ester
Alternate Name(s) Ethyl 4-[(4S,5R)-5-((1E,3E,5Z,7E)-9-{[tert-butyl(diphenyl)silyl]oxy}-1,3,5,7-tetradecatetraenyl)-2-oxo-1,3-dioxolan-4-yl]butanoate
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Formula C39H52O6Si
InChI InChI=1S/C39H52O6Si/c1-6-8-15-23-32(45-46(39(3,4)5,33-25-17-13-18-26-33)34-27-19-14-20-28-34)24-16-11-9-10-12-21-29-35-36(44-38(41)43-35)30-22-31-37(40)42-7-2/h9-14,16-21,24-29,32,35-36H,6-8,15,22-23,30-31H2,1-5H3/b11-9-,12-10+,24-16+,29-21+/t32?,35-,36+/m1/s1
InChIKey OYTPEEBPWVSNDS-AUOVFWCQSA-N
Molecular Weight 644.924 g/mol
SMILES C1(O[C@](\C=C\C=C\C=C/C=C/C(O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)CCCCC)([C@@](O1)(CCCC(=O)OCC)[H])[H])=O
SPLASH splash10-0002-0900000000-f166c05dcfa47d05982f
Source of Spectrum F-48-2450-16
Wiley ID 1412850