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(3aR,8aR,9aR)-8a-methyl-5-methylene-3-[(4-phenyl-1-piperazinyl)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

View entire compound with spectra: 1 MS (GC)

(3aR,8aR,9aR)-8a-methyl-5-methylene-3-[(4-phenyl-1-piperazinyl)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID C6X2dBbeCJS
InChI InChI=1S/C25H34N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-11-13-27(14-12-26)19-8-4-3-5-9-19/h3-5,8-9,20-23H,1,6-7,10-17H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey RKKGCRDYLZFHLX-SSHIOZSPSA-N
Mol Weight 394.6 g/mol
Molecular Formula C25H34N2O2
Exact Mass 394.262028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZcR7eHliCV
Name (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[(4-phenyl-1-piperazinyl)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O2
InChI InChI=1S/C25H34N2O2/c1-18-7-6-10-25(2)16-23-20(15-22(18)25)21(24(28)29-23)17-26-11-13-27(14-12-26)19-8-4-3-5-9-19/h3-5,8-9,20-23H,1,6-7,10-17H2,2H3/t20-,21?,22?,23-,25-/m1/s1
InChIKey RKKGCRDYLZFHLX-SSHIOZSPSA-N
Molecular Weight 394.559 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1ccccc1
SPLASH splash10-00b9-8900000000-f97a0d76d637a40d2982
Synonyms (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[(4-phenylpiperazin-1-yl)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylene-3-[(4-phenylpiperazino)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-8a-methyl-5-methylidene-3-[(4-phenylpiperazin-1-yl)methyl]-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Wiley ID 1445078