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(2R,3R,5S) 2-Hexyl-5-[(4-methoxyphenyl)methoxy]tetrahydrofurane-3-yl ester of (4S-trans)-5-Ethenyl-2,2-dimethyl-1,3-dioxolane-4-propanoic acid
SpectraBase Compound ID ASwc5oSDL8s
InChI InChI=1S/C28H42O7/c1-6-8-9-10-11-23-25(18-27(33-23)31-19-20-12-14-21(30-5)15-13-20)32-26(29)17-16-24-22(7-2)34-28(3,4)35-24/h7,12-15,22-25,27H,2,6,8-11,16-19H2,1,3-5H3/t22-,23+,24-,25+,27?/m0/s1
InChIKey ZSJRQFXWLCXJTF-QCZQGIGHSA-N
Mol Weight 490.6 g/mol
Molecular Formula C28H42O7
Exact Mass 490.293054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dvUDKeHnRQ
Name (2R,3R,5S) 2-Hexyl-5-[(4-methoxyphenyl)methoxy]tetrahydrofurane-3-yl ester of (4S-trans)-5-Ethenyl-2,2-dimethyl-1,3-dioxolane-4-propanoic acid
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Formula C28H42O7
InChI InChI=1S/C28H42O7/c1-6-8-9-10-11-23-25(18-27(33-23)31-19-20-12-14-21(30-5)15-13-20)32-26(29)17-16-24-22(7-2)34-28(3,4)35-24/h7,12-15,22-25,27H,2,6,8-11,16-19H2,1,3-5H3/t22-,23+,24-,25+,27?/m0/s1
InChIKey ZSJRQFXWLCXJTF-QCZQGIGHSA-N
Molecular Weight 490.637 g/mol
SMILES C1(O[C@@](C=C)([C@@](O1)(CCC(O[C@@]1(CC(OCc2ccc(cc2)OC)O[C@@]1(CCCCCC)[H])[H])=O)[H])[H])(C)C
SPLASH splash10-0fk9-0900000000-9ac17a8128895bb9f5bd
Source of Spectrum O1-62-728-18
Synonyms (2R,3R)-2-hexyl-5-[(4-methoxybenzyl)oxy]tetrahydro-3-furanyl 3-[(4S,5S)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl]propanoate
Wiley ID 1592441