For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(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
Mol Weight 445.0 g/mol
Molecular Formula C25H33ClN2O3
Exact Mass 444.217971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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
Alternate Name(s) 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
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
Wiley ID 1444450