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XANTHINOSIN
SpectraBase Compound ID AAAVog2fkIo
InChI InChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13+,14-/m0/s1
InChIKey AVFIYMSJDDGDBQ-FZZIBODNSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWOYA7AcUeu
Name (3aR,7S,8aS)-6-(3-ketobutyl)-7-methyl-3-methylene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
CAS Registry Number 55555-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13+,14-/m0/s1
InChIKey AVFIYMSJDDGDBQ-FZZIBODNSA-N
Molecular Weight 248.322 g/mol
SMILES C1(C([C@]2(CC=C([C@](C[C@@]2(O1)[H])(C)[H])CCC(=O)C)[H])=C)=O
SPLASH splash10-0006-9200000000-80763222fe27e88234ed
Source of Spectrum K-110-1334-0
Synonyms (3aR,7S,8aS)-7-methyl-3-methylene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one (3aR,7S,8aS)-7-methyl-3-methylidene-6-(3-oxidanylidenebutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one (3aR,7S,8aS)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
Wiley ID 1251275