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1-Hydroxy-2-pentyl-4-oxo-5,6-(benzo)-8,9-(2"-hydroxymethyl-3"-hydroxybenzo)-3,7-dioxacycloundec-10-ene
SpectraBase Compound ID 3tAR3x28l89
InChI InChI=1S/C23H26O6/c1-2-3-4-9-22-19(26)11-10-15-17(14-24)18(25)12-13-21(15)28-20-8-6-5-7-16(20)23(27)29-22/h5-8,10-13,19,22,24-26H,2-4,9,14H2,1H3/b11-10+/t19-,22+/m1/s1
InChIKey QGKOOCXMMYSXMB-MIYJXHNBSA-N
Mol Weight 398.46 g/mol
Molecular Formula C23H26O6
Exact Mass 398.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iyOt4ZgadS
Name 1-Hydroxy-2-pentyl-4-oxo-5,6-(benzo)-8,9-(2"-hydroxymethyl-3"-hydroxybenzo)-3,7-dioxacycloundec-10-ene
Alternate Name(s) 4-Desmethylaspercyclide B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6
InChI InChI=1S/C23H26O6/c1-2-3-4-9-22-19(26)11-10-15-17(14-24)18(25)12-13-21(15)28-20-8-6-5-7-16(20)23(27)29-22/h5-8,10-13,19,22,24-26H,2-4,9,14H2,1H3/b11-10+/t19-,22+/m1/s1
InChIKey QGKOOCXMMYSXMB-MIYJXHNBSA-N
Molecular Weight 398.455 g/mol
SMILES Oc1ccc2c(c1CO)\C=C\[C@]([C@@](OC(c1c(O2)cccc1)=O)(CCCCC)[H])(O)[H]
SPLASH splash10-0udi-0190000000-2039f6ec70c0d645494c
Source of Spectrum QE-15-5966-53
Wiley ID 1692938