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12-HYDROXYCHILOSCYPHA-2,7-DIONE
SpectraBase Compound ID 9SDhZpLcrJh
InChI InChI=1S/C15H20O3/c1-9(8-16)14(18)13-5-4-11-7-12(17)6-10(2)15(11,13)3/h7,10,13,16H,1,4-6,8H2,2-3H3/t10-,13+,15+/m0/s1
InChIKey HSEYGUUBMYCCIJ-PSOPSSQASA-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 5SNx4jauPcM
Name (1S,2S,9S)-1,2-Dimethyl-4-oxo-9-[3'-hydroxy-1'-oxo-2'-methylenepropyl]-bicyclo[4.3.0]non-5-ene
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-9(8-16)14(18)13-5-4-11-7-12(17)6-10(2)15(11,13)3/h7,10,13,16H,1,4-6,8H2,2-3H3/t10-,13+,15+/m0/s1
InChIKey HSEYGUUBMYCCIJ-PSOPSSQASA-N
Molecular Weight 248.322 g/mol
SMILES OCC(C([C@@]1([C@]2(C(=CC(C[C@@]2(C)[H])=O)CC1)C)[H])=O)=C
SPLASH splash10-0c03-9500000000-1f94b2327ec91fc95b5b
Source of Spectrum G4-60-1285-4
Synonyms (1S,7S,7aS)-1-[2-(hydroxymethyl)acryloyl]-7,7a-dimethyl-1,2,3,6,7,7a-hexahydro-5H-inden-5-one 12-Hydroxy-Chyloscipha-2,7-dione 8,9-Dimethyl-6-oxo-1-[3'-hydroxy-1'-oxo-2'-methylenepropyl]-bicyclo[4.3.0]non-4-ene (1S,7S,7aS)-1-[2-(hydroxymethyl)-1-oxoprop-2-enyl]-7,7a-dimethyl-2,3,6,7-tetrahydro-1H-inden-5-one (1S,7S,7aS)-1-[2-(hydroxymethyl)prop-2-enoyl]-7,7a-dimethyl-2,3,6,7-tetrahydro-1H-inden-5-one
Wiley ID 1607012