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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
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxFfbVYASw0
Name 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-3-oxanyl]octanoic acid methyl ester
Alternate Name(s) 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-tetrahydropyran-3-yl]caprylic acid methyl ester Methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyl-tetrahydropyran-3-yl]octanoate Methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-hydroxy-2-phenyloxan-3-yl]octanoate Methyl 8-[(2R,3S,4S,6R)-6-hexyl-4-oxidanyl-2-phenyl-oxan-3-yl]octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1([C@@]([C@@](O[C@@](C1)(CCCCCC)[H])(c1ccccc1)[H])(CCCCCCCC(=O)OC)[H])[H]
SPLASH splash10-0a4i-0910200000-13ecd8da575e6fe315d8
Source of Spectrum U1-0-2637-5
Wiley ID 1589956