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

SpectraBase Compound ID	4LGiIo6yKa0
InChI	InChI=1S/C26H36N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,7-8,14,21-24H,1,5-6,9-13,15-17H2,2-3H3/t21-,22?,23?,24-,26-/m1/s1
InChIKey	WLRDUFWIFGLONX-XURSCOLFSA-N Google Search
Mol Weight	424.6 g/mol
Molecular Formula	C26H36N2O3
Exact Mass	424.272593 g/mol

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SpectraBase Spectrum ID	CG2YAbL3GkW
Name	(3aR,8aR,9aR)-3-[[4-(3-methoxyphenyl)-1-piperazinyl]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	C26H36N2O3
InChI	InChI=1S/C26H36N2O3/c1-18-6-5-9-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-10-12-28(13-11-27)19-7-4-8-20(14-19)30-3/h4,7-8,14,21-24H,1,5-6,9-13,15-17H2,2-3H3/t21-,22?,23?,24-,26-/m1/s1
InChIKey	WLRDUFWIFGLONX-XURSCOLFSA-N
Molecular Weight	424.585 g/mol
SMILES	C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(OC)ccc1
SPLASH	splash10-0abi-5920100000-f002f5c8978163bb23a1
Synonyms	(3aR,8aR,9aR)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]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-(3-methoxyphenyl)piperazin-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-(3-methoxyphenyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Wiley ID	1436387