(4S,5S)-5-((Z)-(S)-2-Acetoxy-6-benzoyloxy-hex-3-enyl)-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester

SpectraBase Compound ID	5Q1ozp7Ismw
InChI	InChI=1S/C22H28O8/c1-15(23)28-17(14-18-19(21(25)26-4)30-22(2,3)29-18)12-8-9-13-27-20(24)16-10-6-5-7-11-16/h5-8,10-12,17-19H,9,13-14H2,1-4H3/b12-8-/t17-,18+,19+/m1/s1
InChIKey	RLVBPYMVBFPKAS-AIIMNQSNSA-N Google Search
Mol Weight	420.46 g/mol
Molecular Formula	C22H28O8
Exact Mass	420.178418 g/mol

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SpectraBase Spectrum ID	K3Tox56as9v
Name	(4S,5S)-5-((Z)-(S)-2-Acetoxy-6-benzoyloxy-hex-3-enyl)-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	420.178417854 u
Formula	C22H28O8
InChI	InChI=1S/C22H28O8/c1-15(23)28-17(14-18-19(21(25)26-4)30-22(2,3)29-18)12-8-9-13-27-20(24)16-10-6-5-7-11-16/h5-8,10-12,17-19H,9,13-14H2,1-4H3/b12-8-/t17-,18+,19+/m1/s1
InChIKey	RLVBPYMVBFPKAS-AIIMNQSNSA-N
Molecular Weight	420.458 g/mol
SMILES	[C@@]1([C@@](OC(O1)(C)C)(C[C@](OC(=O)C)(\C=C/CCOC(=O)C1=CC=CC=C1)[H])[H])(C(=O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.960721