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(3S,3aR,8aR,9aR)-3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

View entire compound with spectra: 1 MS (GC)

(3S,3aR,8aR,9aR)-3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID B1Jr0TOnql4
InChI InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13,20-22,24H,1,4-5,8-12,14-16H2,2-3H3/t20-,21?,22?,24-,26-/m1/s1
InChIKey YQZIRLKEPCVJRH-ZWTRHHTNSA-N
Mol Weight 443.0 g/mol
Molecular Formula C26H35ClN2O2
Exact Mass 442.238706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErqHsa6Aegf
Name (3S,3aR,8aR,9aR)-3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Alternate Name(s) 3-[4-(5-chloro-2-methyl-phenyl)-piperazin-1-ylmethyl]-8a-methyl-5-methylene-decahydro-naphtho[2,3-b]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35ClN2O2
InChI InChI=1S/C26H35ClN2O2/c1-17-5-4-8-26(3)15-24-20(14-22(17)26)21(25(30)31-24)16-28-9-11-29(12-10-28)23-13-19(27)7-6-18(23)2/h6-7,13,20-22,24H,1,4-5,8-12,14-16H2,2-3H3/t20-,21?,22?,24-,26-/m1/s1
InChIKey YQZIRLKEPCVJRH-ZWTRHHTNSA-N
Molecular Weight 443.031 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1cc(Cl)ccc1C
SPLASH splash10-00dl-9650000000-d82014a5b1998f2d5ee4
Wiley ID 1445081