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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-{[4-(3-methoxyphenyl)-1-piperazinyl]methyl}-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID EvbDc60ckGI
InChI InChI=1S/C26H36N2O4/c1-17-6-4-7-18-14-22-23(24(29)26(17,18)2)21(25(30)32-22)16-27-10-12-28(13-11-27)19-8-5-9-20(15-19)31-3/h5,7-9,15,17,21-24,29H,4,6,10-14,16H2,1-3H3/t17?,21?,22-,23-,24?,26-/m1/s1
InChIKey HDQONPFINLODRO-YCQPFVFMSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6e6sFGf4CJg
Name (3S,3aS,4S,4aR,5S,9aR)-4-hydroxy-3-{[4-(3-methoxyphenyl)-1-piperazinyl]methyl}-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-17-6-4-7-18-14-22-23(24(29)26(17,18)2)21(25(30)32-22)16-27-10-12-28(13-11-27)19-8-5-9-20(15-19)31-3/h5,7-9,15,17,21-24,29H,4,6,10-14,16H2,1-3H3/t17?,21?,22-,23-,24?,26-/m1/s1
InChIKey HDQONPFINLODRO-YCQPFVFMSA-N
Molecular Weight 440.584 g/mol
SMILES OC1[C@@]2(C(CCC=C2C[C@@]2([C@]1(C(C(O2)=O)CN1CCN(CC1)c1cc(OC)ccc1)[H])[H])C)C
SPLASH splash10-0a4l-9740100000-7aca1fdaa61149d23262
Synonyms 4-Hydroxy-3-[4-(3-methoxy-phenyl)-piperazin-1-ylmethyl]-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydro-3H-naphtho[2,3-b]furan-2-one (3aS,4aR,9aR)-4-hydroxy-3-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-4-hydroxy-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one (3aS,4aR,9aR)-4-hydroxy-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one (3aS,4aR,9aR)-3-[[4-(3-methoxyphenyl)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 1445436