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(3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 5ROt15lxVUi
InChI InChI=1S/C26H37ClN2O4/c1-24-8-5-9-25(2,32-3)26(24,31)15-20-21(23(30)33-22(20)16-24)17-28-10-12-29(13-11-28)19-7-4-6-18(27)14-19/h4,6-7,14,20-22,31H,5,8-13,15-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1
InChIKey ZIXDIMQUKHSJHV-RCSNVNNZSA-N
Mol Weight 477.0 g/mol
Molecular Formula C26H37ClN2O4
Exact Mass 476.244185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9LOofJYRmu
Name (3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Alternate Name(s) (3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methoxy-5,8a-dimethyl-4a-oxidanyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-3-[[4-(3-chlorophenyl)piperazino]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37ClN2O4
InChI InChI=1S/C26H37ClN2O4/c1-24-8-5-9-25(2,32-3)26(24,31)15-20-21(23(30)33-22(20)16-24)17-28-10-12-29(13-11-28)19-7-4-6-18(27)14-19/h4,6-7,14,20-22,31H,5,8-13,15-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1
InChIKey ZIXDIMQUKHSJHV-RCSNVNNZSA-N
Molecular Weight 477.045 g/mol
SMILES OC12C[C@@]3(C(C(O[C@@]3(C[C@]1(CCC[C@]2(OC)C)C)[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1)[H]
SPLASH splash10-0a4i-2891200000-15eeeee9706266fcc132
Wiley ID 1444446