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(8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one

View entire compound with spectra: 1 MS (GC)

(8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one
SpectraBase Compound ID 5yDp6AGrSQp
InChI InChI=1S/C26H32O7/c1-25(2,30)9-5-10-26(3)11-8-16-21(33-26)14-22-23(24(16)29)18(28)13-20(32-22)15-6-7-19(31-4)17(27)12-15/h6-7,12,14,20,27,29-30H,5,8-11,13H2,1-4H3/t20-,26?/m0/s1
InChIKey JKVINBILQDMNEH-DQUNLGLBSA-N
Mol Weight 456.5 g/mol
Molecular Formula C26H32O7
Exact Mass 456.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzfkB0GMThg
Name (8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O7
InChI InChI=1S/C26H32O7/c1-25(2,30)9-5-10-26(3)11-8-16-21(33-26)14-22-23(24(16)29)18(28)13-20(32-22)15-6-7-19(31-4)17(27)12-15/h6-7,12,14,20,27,29-30H,5,8-11,13H2,1-4H3/t20-,26?/m0/s1
InChIKey JKVINBILQDMNEH-DQUNLGLBSA-N
Molecular Weight 456.535 g/mol
SMILES Oc1c(ccc([C@@]2(CC(c3c(cc4OC(CCCC(C)(C)O)(CCc4c3O)C)O2)=O)[H])c1)OC
SPLASH splash10-015i-2935100000-41d8b3e26fb601abf182
Source of Spectrum Jung Keun Cho, et al. Bioorganic & Medicinal Chemistry, V.21, 2013, P.3051-3057
Wiley ID 1816874