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(3aR,8aR,9aR)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-8a-methyl-5-methylene-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)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID GMyUKmI8B7S
InChI InChI=1S/C32H40N2O2/c1-23-10-9-15-32(2)21-29-26(20-28(23)32)27(31(35)36-29)22-33-16-18-34(19-17-33)30(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,26-30H,1,9-10,15-22H2,2H3/t26-,27?,28?,29-,32-/m1/s1
InChIKey VZJTZHOUQBRIEP-URGFVHFPSA-N
Mol Weight 484.7 g/mol
Molecular Formula C32H40N2O2
Exact Mass 484.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4ZlOkK4cCg
Name (3aR,8aR,9aR)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Alternate Name(s) (3aR,8aR,9aR)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[(4-benzhydrylpiperazino)methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
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Formula C32H40N2O2
InChI InChI=1S/C32H40N2O2/c1-23-10-9-15-32(2)21-29-26(20-28(23)32)27(31(35)36-29)22-33-16-18-34(19-17-33)30(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,26-30H,1,9-10,15-22H2,2H3/t26-,27?,28?,29-,32-/m1/s1
InChIKey VZJTZHOUQBRIEP-URGFVHFPSA-N
Molecular Weight 484.684 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
SPLASH splash10-014i-4930000000-7e8677fb8f96fa9108cd
Wiley ID 1444433