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Sindurol
SpectraBase Compound ID D3GvRzq2Mcr
InChI InChI=1S/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+
InChIKey RXDWPJRLNXTQAE-DEDYPNTBSA-N
Mol Weight 560.7 g/mol
Molecular Formula C31H44O9
Exact Mass 560.298533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rBMWh9xNQ
Name Sindurol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O9
InChI InChI=1S/C31H44O9/c1-19(2)9-8-10-20(3)13-25-17-29(7)11-12-31(39-25,40-29)30(36,18-37-22(5)32)28(38-23(6)33)16-24-15-26(34)21(4)14-27(24)35/h9,13-15,25,28,34-36H,8,10-12,16-18H2,1-7H3/b20-13+
InChIKey RXDWPJRLNXTQAE-DEDYPNTBSA-N
Molecular Weight 560.684 g/mol
SMILES Oc1cc(c(cc1C)O)CC(C(C12OC(C)(CC2)CC(O1)\C=C\(CCC=C(C)C)C)(COC(=O)C)O)OC(=O)C
SPLASH splash10-0k96-0000390000-88d8f0f3e79eb62f093d
Source of Spectrum G4-59-265-2
Synonyms Acetic acid [3-acetyloxy-4-(2,5-dihydroxy-4-methylphenyl)-2-[3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-methyl-4,8-dioxabicyclo[3.2.1]octan-5-yl]-2-hydroxybutyl] ester [3-acetyloxy-4-(2,5-dihydroxy-4-methylphenyl)-2-[3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-methyl-4,8-dioxabicyclo[3.2.1]octan-5-yl]-2-hydroxybutyl] acetate [3-acetoxy-4-(2,5-dihydroxy-4-methyl-phenyl)-2-[3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-methyl-4,8-dioxabicyclo[3.2.1]octan-5-yl]-2-hydroxy-butyl] acetate [3-acetyloxy-2-[3-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-methyl-4,8-dioxabicyclo[3.2.1]octan-5-yl]-4-[4-methyl-2,5-bis(oxidanyl)phenyl]-2-oxidanyl-butyl] ethanoate
Wiley ID 1606217