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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v8sTgNUlur
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.267507643 u
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 C1([C@]2(C([C@@]3(C(CCC=C3C[C@@]2([H])OC1=O)C)C)O)[H])CN1CCN(CC1)C=1C=C(OC)C=CC1