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(3ar,4as,8ar,9ar)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}decahydro-8A-methyl-5-methylidenenaphtho[2,3-B]furan-2(3H)-one

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(3ar,4as,8ar,9ar)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}decahydro-8A-methyl-5-methylidenenaphtho[2,3-B]furan-2(3H)-one
SpectraBase Compound ID DJZuH5gHgfh
InChI InChI=1S/C23H30ClNO2/c1-15-6-5-9-23(2)12-21-18(11-20(15)23)19(22(26)27-21)14-25(3)13-16-7-4-8-17(24)10-16/h4,7-8,10,18-21H,1,5-6,9,11-14H2,2-3H3/t18-,19?,20+,21-,23-/m1/s1
InChIKey XILYAVXALZMOBZ-YWJDPIHNSA-N
Mol Weight 387.95 g/mol
Molecular Formula C23H30ClNO2
Exact Mass 387.196507 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7OXyY5LSvJ
Name (3ar,4as,8ar,9ar)-3-{[(3-chlorobenzyl)(methyl)amino]methyl}decahydro-8A-methyl-5-methylidenenaphtho[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 387.196506908 u
Formula C23H30ClNO2
InChI InChI=1S/C23H30ClNO2/c1-15-6-5-9-23(2)12-21-18(11-20(15)23)19(22(26)27-21)14-25(3)13-16-7-4-8-17(24)10-16/h4,7-8,10,18-21H,1,5-6,9,11-14H2,2-3H3/t18-,19?,20+,21-,23-/m1/s1
InChIKey XILYAVXALZMOBZ-YWJDPIHNSA-N
Molecular Weight 387.951 g/mol
SMILES C=C1CCC[C@@]2(C[C@]3(OC(=O)C(CN(CC4=CC(=CC=C4)Cl)C)[C@@]3([H])C[C@@]12[H])[H])C