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4,5-seco-11(13)-Eudesmen-12,8-olide-4-one
SpectraBase Compound ID 6kuVI4ohEPF
InChI InChI=1S/C15H22O3/c1-10(16)5-4-7-15(3)8-6-12-11(2)14(17)18-13(12)9-15/h12-13H,2,4-9H2,1,3H3/t12-,13-,15+/m1/s1
InChIKey SDBXBJLDEPNBHF-NFAWXSAZSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BjDCeIrfE
Name 4,5-seco-11(13)-Eudesmen-12,8-olide-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10(16)5-4-7-15(3)8-6-12-11(2)14(17)18-13(12)9-15/h12-13H,2,4-9H2,1,3H3/t12-,13-,15+/m1/s1
InChIKey SDBXBJLDEPNBHF-NFAWXSAZSA-N
Molecular Weight 250.338 g/mol
SMILES C1(C([C@]2(CC[C@@](C[C@]2(O1)[H])(CCCC(=O)C)C)[H])=C)=O
SPLASH splash10-053v-9810000000-c6908fa8169e37b55b15
Source of Spectrum G4-64-470-7
Synonyms (3aR,6S,7aR)-6-methyl-3-methylidene-6-(4-oxopentyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one (3aR,6S,7aR)-6-methyl-3-methylene-6-(4-oxopentyl)-4,5,7,7a-tetrahydro-3aH-benzofuran-2-one (3aR,6S,7aR)-6-methyl-3-methylidene-6-(4-oxidanylidenepentyl)-4,5,7,7a-tetrahydro-3aH-1-benzofuran-2-one
Wiley ID 1608899