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 Google Search
Mol Weight	458.6 g/mol
Molecular Formula	C28H42O5
Exact Mass	458.303224 g/mol

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SpectraBase Spectrum ID	BYh0fkuR0f3
Name	3-((4R,5R)-2,2-Dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-propionic acid (1S,2S)-1-allyl-2-benzyloxy-octyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	458.303224447 u
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@@](OCC1=CC=CC=C1)(CCCCCC)[H])(CC=C)[H])=O)[H])[H])(C)C