((4R,5S)-2-[(RS)-4,8-DIMETHYLNONYL]-2-METHYL-1,3-DIOXOLAN-4,5-DIYL)-DIMETHYLOCTANOATE

SpectraBase Compound ID	BNAXNYMq39y
InChI	InChI=1S/C33H62O6/c1-7-9-11-13-15-22-31(34)36-25-29-30(26-37-32(35)23-16-14-12-10-8-2)39-33(6,38-29)24-18-21-28(5)20-17-19-27(3)4/h27-30H,7-26H2,1-6H3/t28?,29-,30-/m0/s1
InChIKey	PYXCYPVBGCMQDX-WYMOGZRNSA-N Google Search
Mol Weight	554.9 g/mol
Molecular Formula	C33H62O6
Exact Mass	554.45464 g/mol

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SpectraBase Spectrum ID	4AXIoCPDag7
Name	{(4S,5S)-2-[(RS)-4,8-dimethylnonyl]-2-methyl-1,3-dioxolane-4,5-diyl} dimethylenedioctanoate
Alternate Name(s)	caprylic acid[(4S,5S)-5-(caprylyloxymethyl)-2-(4,8-dimethylnonyl)-2-methyl-1,3-dioxolan-4-yl]methyl ester Octanoic acid[(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-(1-oxooctoxymethyl)-1,3-dioxolan-4-yl]methyl ester {(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-[(octanoyloxy)methyl]-1,3-dioxolan-4-yl}methyl octanoate Octanoic acid [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-(1-oxooctoxymethyl)-1,3-dioxolan-4-yl]methyl ester [(4S,5S)-2-(4,8-dimethylnonyl)-2-methyl-5-(octanoyloxymethyl)-1,3-dioxolan-4-yl]methyl octanoate
CAS Registry Number	130678-32-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H62O6
InChI	InChI=1S/C33H62O6/c1-7-9-11-13-15-22-31(34)36-25-29-30(26-37-32(35)23-16-14-12-10-8-2)39-33(6,38-29)24-18-21-28(5)20-17-19-27(3)4/h27-30H,7-26H2,1-6H3/t28?,29-,30-/m0/s1
InChIKey	PYXCYPVBGCMQDX-WYMOGZRNSA-N
Molecular Weight	554.853 g/mol
SMILES	C1(O[C@@](COC(=O)CCCCCCC)([C@@](O1)(COC(=O)CCCCCCC)[H])[H])(CCCC(CCCC(C)C)C)C
SPLASH	splash10-002b-0609010000-5a816a087c6d8ce368ce
Source of Spectrum	H-73-1101-16
Wiley ID	1406227