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(3aR,5R,8aR,9aR)-3-[[4-(2-fluorophenyl)-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-(2-fluorophenyl)-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 BsCy4FGMAUY
InChI InChI=1S/C26H37FN2O4/c1-24-9-6-10-25(2,32-3)26(24,31)15-18-19(23(30)33-22(18)16-24)17-28-11-13-29(14-12-28)21-8-5-4-7-20(21)27/h4-5,7-8,18-19,22,31H,6,9-17H2,1-3H3/t18-,19?,22-,24-,25-,26?/m1/s1
InChIKey ZYQCHTPYTIDECE-UGSMEHDXSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H37FN2O4
Exact Mass 460.273736 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48lHKRPkTm6
Name (3aR,5R,8aR,9aR)-3-[[4-(2-fluorophenyl)-1-piperazinyl]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 C26H37FN2O4
InChI InChI=1S/C26H37FN2O4/c1-24-9-6-10-25(2,32-3)26(24,31)15-18-19(23(30)33-22(18)16-24)17-28-11-13-29(14-12-28)21-8-5-4-7-20(21)27/h4-5,7-8,18-19,22,31H,6,9-17H2,1-3H3/t18-,19?,22-,24-,25-,26?/m1/s1
InChIKey ZYQCHTPYTIDECE-UGSMEHDXSA-N
Molecular Weight 460.590 g/mol
SMILES OC12C[C@@]3(C(C(O[C@@]3(C[C@]1(CCC[C@]2(OC)C)C)[H])=O)CN1CCN(CC1)c1c(F)cccc1)[H]
SPLASH splash10-0006-1911200000-61f72d7022593f69b32c
Synonyms (3aR,5R,8aR,9aR)-3-[[4-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)piperazino]methyl]-4a-hydroxy-5-methoxy-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Wiley ID 1444873