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(3S,3aR,5S,8aR,9aR)-3-({[2-(diethylamino)ethyl]amino}methyl)-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID DJq1Val26eH
InChI InChI=1S/C21H36N2O2/c1-5-23(6-2)11-10-22-14-17-16-12-18-15(3)8-7-9-21(18,4)13-19(16)25-20(17)24/h12,15-17,19,22H,5-11,13-14H2,1-4H3/t15-,16+,17?,19+,21+/m0/s1
InChIKey IXWZZPQLSGSFEA-BTLTWMERSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H36N2O2
Exact Mass 348.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQnU6mBMGEU
Name (3S,3aR,5S,8aR,9aR)-3-({[2-(diethylamino)ethyl]amino}methyl)-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
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Formula C21H36N2O2
InChI InChI=1S/C21H36N2O2/c1-5-23(6-2)11-10-22-14-17-16-12-18-15(3)8-7-9-21(18,4)13-19(16)25-20(17)24/h12,15-17,19,22H,5-11,13-14H2,1-4H3/t15-,16+,17?,19+,21+/m0/s1
InChIKey IXWZZPQLSGSFEA-BTLTWMERSA-N
Molecular Weight 348.531 g/mol
SMILES N(CC1[C@]2(C=C3[C@](CCC[C@@]3(C[C@]2(OC1=O)[H])C)(C)[H])[H])CCN(CC)CC
SPLASH splash10-000i-9200000000-75b9ff5995e7dfd093ad
Synonyms (3aR,5S,8aR,9aR)-3-[(2-diethylaminoethylamino)methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[(2-diethylaminoethylamino)methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one 3-[(2-diethylamino-ethylamino)-methyl]-5,8a-dimethyl-3a,5,6,7,8,8a,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one (3aR,5S,8aR,9aR)-3-[[2-(diethylamino)ethylamino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1453743