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(5S,5aS,9aR,9bR)-5-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e]isobenzofuran-3-one
SpectraBase Compound ID 4vqEmEKzA1w
InChI InChI=1S/C15H22O3/c1-14(2)5-4-6-15(3)10-8-18-13(17)9(10)7-11(16)12(14)15/h7,10-12,16H,4-6,8H2,1-3H3/t10-,11-,12-,15+/m0/s1
InChIKey IXMDKTHAKBRIQD-JUFZMCDQSA-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 2FFfF7p0D5F
Name (5S,5aS,9aR,9bR)-5-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e]isobenzofuran-3-one
Alternate Name(s) (5S,5aS,9aR,9bR)-5-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one (5S,5aS,9aR,9bR)-5-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benz[e]isobenzofuran-3-one (5S,5aS,9aR,9bR)-6,6,9a-trimethyl-5-oxidanyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)5-4-6-15(3)10-8-18-13(17)9(10)7-11(16)12(14)15/h7,10-12,16H,4-6,8H2,1-3H3/t10-,11-,12-,15+/m0/s1
InChIKey IXMDKTHAKBRIQD-JUFZMCDQSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1([C@]2(C(CCC[C@@]2([C@@]2(C(=C1)C(OC2)=O)[H])C)(C)C)[H])[H]
SPLASH splash10-0a6r-4910000000-2d8e5003751090bc835f
Source of Spectrum X2-55-1460-10
Wiley ID 1604572