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(3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID D0f8nKHtwbA
InChI InChI=1S/C27H36N2O3/c1-18-6-5-11-27(3)15-25-22(14-24(18)27)23(26(30)32-25)17-28-12-13-29(19(2)16-28)20-7-9-21(31-4)10-8-20/h6-10,14,19,22-23,25H,5,11-13,15-17H2,1-4H3/t19-,22-,23?,25-,27-/m1/s1
InChIKey QCFMNECCTNFCRH-HZZMWVIQSA-N
Mol Weight 436.6 g/mol
Molecular Formula C27H36N2O3
Exact Mass 436.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmuvP6v4hvY
Name (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O3
InChI InChI=1S/C27H36N2O3/c1-18-6-5-11-27(3)15-25-22(14-24(18)27)23(26(30)32-25)17-28-12-13-29(19(2)16-28)20-7-9-21(31-4)10-8-20/h6-10,14,19,22-23,25H,5,11-13,15-17H2,1-4H3/t19-,22-,23?,25-,27-/m1/s1
InChIKey QCFMNECCTNFCRH-HZZMWVIQSA-N
Molecular Weight 436.596 g/mol
SMILES C1(C(O[C@]2([C@@]1(C=C1C(=CCC[C@@]1(C2)C)C)[H])[H])=O)CN1C[C@@](C)(N(CC1)c1ccc(cc1)OC)[H]
SPLASH splash10-0g4i-5930100000-c1e0f716a54ba44dd799
Synonyms (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(4-methoxyphenyl)-3-methyl-piperazino]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrobenzo[f]benzofuran-2-one
Wiley ID 1445450