(3S,3aS,4S,4aR,5S,9aR)-3-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

SpectraBase Compound ID	2xLnxDw5D6b
InChI	InChI=1S/C25H33ClN2O3/c1-16-5-3-6-17-13-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-9-11-28(12-10-27)19-8-4-7-18(26)14-19/h4,6-8,14,16,20-23,29H,3,5,9-13,15H2,1-2H3/t16?,20?,21-,22-,23?,25-/m1/s1
InChIKey	HXHILYRRLVJUGI-JCERLOHISA-N Google Search
Mol Weight	445.0 g/mol
Molecular Formula	C25H33ClN2O3
Exact Mass	444.217971 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AzYbBtw9jZQ
Name	(3S,3aS,4S,4aR,5S,9aR)-3-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H33ClN2O3
InChI	InChI=1S/C25H33ClN2O3/c1-16-5-3-6-17-13-21-22(23(29)25(16,17)2)20(24(30)31-21)15-27-9-11-28(12-10-27)19-8-4-7-18(26)14-19/h4,6-8,14,16,20-23,29H,3,5,9-13,15H2,1-2H3/t16?,20?,21-,22-,23?,25-/m1/s1
InChIKey	HXHILYRRLVJUGI-JCERLOHISA-N
Molecular Weight	445.003 g/mol
SMILES	OC1[C@@]2(C(CCC=C2C[C@@]2([C@]1(C(C(O2)=O)CN1CCN(CC1)c1cc(Cl)ccc1)[H])[H])C)C
SPLASH	splash10-0a4i-7930000000-36212dd24340e0d6700b
Synonyms	3-[4-(3-chloro-phenyl)-piperazin-1-ylmethyl]-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one (3aS,4aR,9aR)-3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4a,5-dimethyl-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Wiley ID	1444450