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

View entire compound with spectra: 1 MS (GC)

(3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
SpectraBase Compound ID DJCn7R6MtYU
InChI InChI=1S/C26H36N2O3/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,15,18-20,24H,6-7,10-14,16-17H2,1-3H3/t18-,19+,20?,24+,26+/m0/s1
InChIKey TUGNZPZGRMNXOD-PGCLCXOZSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2O3
Exact Mass 424.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqSWoCdrkbP
Name (3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Alternate Name(s) (3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(2-methoxyphenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
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Formula C26H36N2O3
InChI InChI=1S/C26H36N2O3/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,15,18-20,24H,6-7,10-14,16-17H2,1-3H3/t18-,19+,20?,24+,26+/m0/s1
InChIKey TUGNZPZGRMNXOD-PGCLCXOZSA-N
Molecular Weight 424.585 g/mol
SMILES C1(C(O[C@]2([C@@]1(C=C1[C@](CCC[C@@]1(C2)C)(C)[H])[H])[H])=O)CN1CCN(CC1)c1c(OC)cccc1
SPLASH splash10-0ab9-4960200000-87f7742240f74a1033e8
Wiley ID 1444321