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3-((4R,5R)-2,2-Dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-propionic acid (1S,2S)-1-allyl-2-benzyloxy-octyl ester
SpectraBase Compound ID CvOSLvctup4
InChI InChI=1S/C28H42O5/c1-6-9-10-14-18-24(30-21-22-16-12-11-13-17-22)25(15-7-2)31-27(29)20-19-26-23(8-3)32-28(4,5)33-26/h7-8,11-13,16-17,23-26H,2-3,6,9-10,14-15,18-21H2,1,4-5H3/t23-,24+,25+,26-/m1/s1
InChIKey YZGJZZSJCSUYSX-KEVKATSASA-N
Mol Weight 458.6 g/mol
Molecular Formula C28H42O5
Exact Mass 458.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfcXDTqxlTa
Name 3-((4R,5R)-2,2-Dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-propionic acid (1S,2S)-1-allyl-2-benzyloxy-octyl ester
Alternate Name(s) 4,5-[(O-Isopropylidene)dioxy]-hept-6-enoic acid - 1'-(1''-Benzyloxyheptyl-3'-butenyl ester (4S,5S)-5-(benzyloxy)undec-1-en-4-yl 3-((4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)propanoate 3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] ester [(1S,2S)-1-allyl-2-benzyloxy-octyl] 3-[(4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl]propanoate [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] 3-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
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Formula C28H42O5
InChI InChI=1S/C28H42O5/c1-6-9-10-14-18-24(30-21-22-16-12-11-13-17-22)25(15-7-2)31-27(29)20-19-26-23(8-3)32-28(4,5)33-26/h7-8,11-13,16-17,23-26H,2-3,6,9-10,14-15,18-21H2,1,4-5H3/t23-,24+,25+,26-/m1/s1
InChIKey YZGJZZSJCSUYSX-KEVKATSASA-N
Molecular Weight 458.639 g/mol
SMILES C1(O[C@](C=C)([C@](O1)(CCC(O[C@]([C@@](OCc1ccccc1)(CCCCCC)[H])(CC=C)[H])=O)[H])[H])(C)C
SPLASH splash10-002f-9410000000-449b16f8262ad6f3be89
Source of Spectrum F5-2-45-21
Wiley ID 1731654