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1-Butanone, 1-[2,3-dihydro-4,5,6-trihydroxy-2-(1-hydroxy-1-methylethyl)-7-benzofu ranyl]-3-methyl-
SpectraBase Compound ID 7zyG8joYLZr
InChI InChI=1S/C16H22O6/c1-7(2)5-9(17)11-13(19)14(20)12(18)8-6-10(16(3,4)21)22-15(8)11/h7,10,18-21H,5-6H2,1-4H3
InChIKey DIMMRCGOVUNUCZ-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcVV8fY0y1m
Name 1-Butanone, 1-[2,3-dihydro-4,5,6-trihydroxy-2-(1-hydroxy-1-methylethyl)-7-benzofu ranyl]-3-methyl-
CAS Registry Number 81677-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O6
InChI InChI=1S/C16H22O6/c1-7(2)5-9(17)11-13(19)14(20)12(18)8-6-10(16(3,4)21)22-15(8)11/h7,10,18-21H,5-6H2,1-4H3
InChIKey DIMMRCGOVUNUCZ-UHFFFAOYSA-N
Molecular Weight 310.346 g/mol
SMILES OC(C1Cc2c(c(c(c(c2O)O)O)C(CC(C)C)=O)O1)(C)C
SPLASH splash10-001r-9010000000-da1e6d48dbd8d11f7a8c
Source of Spectrum KC-1982-382-0
Synonyms 2-(2-Hydroxyisopropyl)-4,5,6-trihydroxy-7-isopentoyl-2,3-dihydrobenzofuran 3-Methyl-1-[4,5,6-trihydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-1-benzofuran-7-yl]-1-butanone
Wiley ID 1311398