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6H-Cyclohepta[b]furan-5-carboxylic acid, 7,8-dihydro-4-hydroxy-3,6-dimethyl-8-oxo-7-(2-oxobutyl)-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID FNUAx1mAdhO
InChI InChI=1S/C17H20O6/c1-5-10(18)6-11-9(3)13(17(21)22-4)15(20)12-8(2)7-23-16(12)14(11)19/h7,9,11,20H,5-6H2,1-4H3/t9-,11-/m1/s1
InChIKey BIQQQCJMKASILV-MWLCHTKSSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ypHhDCzmJW
Name 6H-Cyclohepta[b]furan-5-carboxylic acid, 7,8-dihydro-4-hydroxy-3,6-dimethyl-8-oxo-7-(2-oxobutyl)-, methyl ester, trans-(.+-.)-
CAS Registry Number 112358-97-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-5-10(18)6-11-9(3)13(17(21)22-4)15(20)12-8(2)7-23-16(12)14(11)19/h7,9,11,20H,5-6H2,1-4H3/t9-,11-/m1/s1
InChIKey BIQQQCJMKASILV-MWLCHTKSSA-N
Molecular Weight 320.341 g/mol
SMILES OC=1c2c(occ2C)C([C@@]([C@](C1C(=O)OC)(C)[H])(CC(=O)CC)[H])=O
SPLASH splash10-066r-3390000000-7f5728e2e8736700ab37
Source of Spectrum KC-1990-1609-48
Synonyms Methyl (6R,7R)-4-hydroxy-3,6-dimethyl-8-oxo-7-(2-oxobutyl)-7,8-dihydro-6H-cyclohepta[b]furan-5-carboxylate Methyl trans-4-hydroxy-3,6-dimethyl-8-oxo-7-(2-oxobutyl)-7,8-dihydro-6H-cyclohepta[b]furan-5-carboxylate
Wiley ID 1320023