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

SpectraBase Compound ID	JU4sNH1tpuq
InChI	InChI=1S/C27H40N2O5/c1-25-10-7-11-26(2,33-4)27(25,31)16-19-20(24(30)34-23(19)17-25)18-28-12-14-29(15-13-28)21-8-5-6-9-22(21)32-3/h5-6,8-9,19-20,23,31H,7,10-18H2,1-4H3/t19-,20?,23-,25-,26-,27?/m1/s1
InChIKey	GMYLBVYWOJNCTD-LGLJAXCTSA-N Google Search
Mol Weight	472.6 g/mol
Molecular Formula	C27H40N2O5
Exact Mass	472.293722 g/mol

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SpectraBase Spectrum ID	B0mfFDrVXlY
Name	(3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H40N2O5
InChI	InChI=1S/C27H40N2O5/c1-25-10-7-11-26(2,33-4)27(25,31)16-19-20(24(30)34-23(19)17-25)18-28-12-14-29(15-13-28)21-8-5-6-9-22(21)32-3/h5-6,8-9,19-20,23,31H,7,10-18H2,1-4H3/t19-,20?,23-,25-,26-,27?/m1/s1
InChIKey	GMYLBVYWOJNCTD-LGLJAXCTSA-N
Molecular Weight	472.626 g/mol
SMILES	OC12C[C@@]3(C(C(O[C@@]3(C[C@]1(CCC[C@]2(OC)C)C)[H])=O)CN1CCN(CC1)c1c(OC)cccc1)[H]
SPLASH	splash10-0a4i-2980300000-378454c915be9f8a60f7
Synonyms	(3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-3-[[4-(2-methoxyphenyl)piperazino]methyl]-5,8a-dimethyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one (3aR,5R,8aR,9aR)-5-methoxy-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-4a-oxidanyl-3,3a,4,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID	1444871