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SEPTUPLINOLIDE
SpectraBase Compound ID 5XBX7hRL6KU
InChI InChI=1S/C15H22O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m1/s1
InChIKey ZALRIXVWAYTYQJ-FWZIUSJTSA-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 7QyzRtXdsEs
Name (3aR,4aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5-oxidanyl-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9-10-7-12-14(2,5-4-6-15(12,3)17)8-11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12-,14-,15+/m1/s1
InChIKey ZALRIXVWAYTYQJ-FWZIUSJTSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1([C@@]2(C[C@@]3(C(C(O[C@@]3(C[C@]2(CCC1)C)[H])=O)=C)[H])[H])C
SPLASH splash10-0jbl-9410000000-c7d64bce4005a7c7c97f
Source of Spectrum KC-1993-246-4
Synonyms (3aR,4aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,4aR,5S,8aR,9aR)-5-hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 778861