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

SpectraBase Compound ID	HzCNf050XJ8
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/h3-8,11-14,20,23,26-27,29-30H,9-10,15-19,21-22H2,1-2H3/t23-,26+,27?,29+,32+/m0/s1
InChIKey	NBJASNUKULGOJS-JWCNNKAYSA-N Google Search
Mol Weight	484.7 g/mol
Molecular Formula	C32H40N2O2
Exact Mass	484.308979 g/mol

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SpectraBase Spectrum ID	I7bvZ2O0eKn
Name	(3aR,5S,8aR,9aR)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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/h3-8,11-14,20,23,26-27,29-30H,9-10,15-19,21-22H2,1-2H3/t23-,26+,27?,29+,32+/m0/s1
InChIKey	NBJASNUKULGOJS-JWCNNKAYSA-N
Molecular Weight	484.684 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)C(c1ccccc1)c1ccccc1
SPLASH	splash10-014i-4920000000-26060606e949830471b6
Synonyms	(3aR,5S,8aR,9aR)-3-[(4-benzhydrylpiperazin-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-benzhydrylpiperazino)methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5S,8aR,9aR)-3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID	1436413