8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-3-oxanyl]octanoic acid methyl ester

SpectraBase Compound ID	5SHCCmaIfhK
InChI	InChI=1S/C26H42O4/c1-3-4-5-12-17-22-20-24(27)23(26(30-22)21-15-10-9-11-16-21)18-13-7-6-8-14-19-25(28)29-2/h9-11,15-16,22-24,26-27H,3-8,12-14,17-20H2,1-2H3/t22-,23+,24+,26+/m1/s1
InChIKey	PETHWBCBBVMYBE-APFRJGHOSA-N Google Search
Mol Weight	418.6 g/mol
Molecular Formula	C26H42O4
Exact Mass	418.30831 g/mol

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SpectraBase Spectrum ID	GYfqyfNoJCO
Name	8-[(2R,3S,4S,6R)-6-Hexyl-4-hydroxy-2-phenyl-3-oxanyl]octanoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	418.308309828 u
Formula	C26H42O4
InChI	InChI=1S/C26H42O4/c1-3-4-5-12-17-22-20-24(27)23(26(30-22)21-15-10-9-11-16-21)18-13-7-6-8-14-19-25(28)29-2/h9-11,15-16,22-24,26-27H,3-8,12-14,17-20H2,1-2H3/t22-,23+,24+,26+/m1/s1
InChIKey	PETHWBCBBVMYBE-APFRJGHOSA-N
Molecular Weight	418.618 g/mol
SMILES	[C@]1([C@]([C@@](O)(C[C@](O1)(CCCCCC)[H])[H])(CCCCCCCC(=O)OC)[H])(C1=CC=CC=C1)[H]