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(3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-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)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID 1o5ioLkqkNe
InChI InChI=1S/C26H37N3O6/c1-24-9-4-10-25(2,34-3)26(24,31)15-20-21(23(30)35-22(20)16-24)17-27-11-13-28(14-12-27)18-5-7-19(8-6-18)29(32)33/h5-8,20-22,31H,4,9-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1
InChIKey AIXNJADSSZEICA-RCSNVNNZSA-N
Mol Weight 487.6 g/mol
Molecular Formula C26H37N3O6
Exact Mass 487.268236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A4aM4Ph2B6
Name (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-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 C26H37N3O6
InChI InChI=1S/C26H37N3O6/c1-24-9-4-10-25(2,34-3)26(24,31)15-20-21(23(30)35-22(20)16-24)17-27-11-13-28(14-12-27)18-5-7-19(8-6-18)29(32)33/h5-8,20-22,31H,4,9-17H2,1-3H3/t20-,21?,22-,24-,25-,26?/m1/s1
InChIKey AIXNJADSSZEICA-RCSNVNNZSA-N
Molecular Weight 487.597 g/mol
SMILES OC12C[C@@]3(C(C(O[C@@]3(C[C@]1(CCC[C@]2(OC)C)C)[H])=O)CN1CCN(CC1)c1ccc(N(=O)=O)cc1)[H]
SPLASH splash10-00di-3891100000-f8e5ae9b93688ebddaaf
Synonyms (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)piperazino]methyl]-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-5-methoxy-5,8a-dimethyl-3-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4a-oxidanyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID 1444872