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(3S,3aS,4S,4aR,5S,9aR)-3-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID 6gAbyMJ5n5Z
InChI InChI=1S/C25H33FN2O3/c1-16-4-3-5-17-14-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-10-12-28(13-11-27)19-8-6-18(26)7-9-19/h5-9,16,20-23,29H,3-4,10-15H2,1-2H3/t16?,20?,21-,22-,23?,25-/m1/s1
InChIKey CCINPNZGQSKDQW-JCERLOHISA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H33FN2O3
Exact Mass 428.247521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JnTyQe20e8
Name (3S,3aS,4S,4aR,5S,9aR)-3-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Alternate Name(s) 3-[4-(4-fluoro-phenyl)-piperazin-1-ylmethyl]-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one (3aS,4aR,9aR)-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4a,5-dimethyl-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
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Formula C25H33FN2O3
InChI InChI=1S/C25H33FN2O3/c1-16-4-3-5-17-14-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-10-12-28(13-11-27)19-8-6-18(26)7-9-19/h5-9,16,20-23,29H,3-4,10-15H2,1-2H3/t16?,20?,21-,22-,23?,25-/m1/s1
InChIKey CCINPNZGQSKDQW-JCERLOHISA-N
Molecular Weight 428.548 g/mol
SMILES OC1[C@@]2(C(CCC=C2C[C@@]2([C@]1(C(C(O2)=O)CN1CCN(CC1)c1ccc(cc1)F)[H])[H])C)C
SPLASH splash10-006x-4900000000-669d1be6013e856726af
Wiley ID 1444447