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(1R,3S,3aS,10aR,10bS)-3-Hydroxy-7-m ethoxy-1,5-dimethyl-4-oxo-2,3,3a,4,6,9,10,10b-octahydro-1H-cyclohepta[bc]acenaphthylene-10a-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(1R,3S,3aS,10aR,10bS)-3-Hydroxy-7-m ethoxy-1,5-dimethyl-4-oxo-2,3,3a,4,6,9,10,10b-octahydro-1H-cyclohepta[bc]acenaphthylene-10a-carboxylic acid methyl ester
SpectraBase Compound ID L2sXBgw2BE1
InChI InChI=1S/C21H26O5/c1-10-7-13(25-3)9-12-5-6-21(20(24)26-4)11(2)8-14(22)17-18(21)16(12)15(10)19(17)23/h9,11,14,17-18,22H,5-8H2,1-4H3/t11-,14+,17-,18-,21-/m1/s1
InChIKey LHNLXKFAPIKUAI-VKJVRVIDSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JucB0E7Puit
Name (1R,3S,3aS,10aR,10bS)-3-Hydroxy-7-m ethoxy-1,5-dimethyl-4-oxo-2,3,3a,4,6,9,10,10b-octahydro-1H-cyclohepta[bc]acenaphthylene-10a-carboxylic acid methyl ester
Alternate Name(s) Methyl (1R,3S,3aS,10aR,10bS)-3-hydroxy-7-methoxy-1,5-dimethyl-4-oxo-2,3,3a,4,6,9,10,10b-octahydrocyclohepta[bc]acenaphthylene-10a(1H)-carboxylate Methyl 3-hydroxy-7-methoxy-1,5-dimethyl-4-oxo-1,2,3,3a,6,9,10,10b-octahydro-cyclohept[bc]acenaphthylene-10a(4H)-carboxylate
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Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-10-7-13(25-3)9-12-5-6-21(20(24)26-4)11(2)8-14(22)17-18(21)16(12)15(10)19(17)23/h9,11,14,17-18,22H,5-8H2,1-4H3/t11-,14+,17-,18-,21-/m1/s1
InChIKey LHNLXKFAPIKUAI-VKJVRVIDSA-N
Molecular Weight 358.434 g/mol
SMILES O[C@@]1([C@]2(C(C=3C=4[C@]2([C@@]([C@](C)(C1)[H])(C(=O)OC)CCC4C=C(CC3C)OC)[H])=O)[H])[H]
SPLASH splash10-053r-0398000000-60c94315a9d563b2700a
Source of Spectrum B-52-1106-43
Wiley ID 746830