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2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-4-thioxo-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID FBX1kIIoyUY
InChI InChI=1S/C19H25NO4S/c1-22-15-10-13-8-9-20-17(25)6-4-12(5-7-18(21)24-3)19(20)14(13)11-16(15)23-2/h10-12,19H,4-9H2,1-3H3/t12-,19-/m1/s1
InChIKey CRLMBRQGTJVTEW-CWTRNNRKSA-N
Mol Weight 363.47 g/mol
Molecular Formula C19H25NO4S
Exact Mass 363.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlLgm9inmVt
Name 2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-4-thioxo-, methyl ester, trans-(.+-.)-
Alternate Name(s) 4-Thio-8,9-dimethoxy-1,1a,2,3,5,6-hexahydro-4a-phenanthridine Methyl 3-[(1S,11bR)-9,10-dimethoxy-4-thioxo-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-1-yl]propanoate
CAS Registry Number 115757-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO4S
InChI InChI=1S/C19H25NO4S/c1-22-15-10-13-8-9-20-17(25)6-4-12(5-7-18(21)24-3)19(20)14(13)11-16(15)23-2/h10-12,19H,4-9H2,1-3H3/t12-,19-/m1/s1
InChIKey CRLMBRQGTJVTEW-CWTRNNRKSA-N
Molecular Weight 363.472 g/mol
SMILES [C@]12(N(CCc3cc(c(cc23)OC)OC)C(CC[C@@]1(CCC(=O)OC)[H])=S)[H]
SPLASH splash10-03di-0019000000-2b9e9d83a0988e775c89
Source of Spectrum J-53-4239-3
Wiley ID 1350202