(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 Google Search
Mol Weight	484.7 g/mol
Molecular Formula	C32H40N2O2
Exact Mass	484.308979 g/mol

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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
Copyright	Copyright © 2020-2024 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/h3-8,11-14,26-30H,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
Synonyms	(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
Wiley ID	1444433