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3-[2beta-(Methoxycarbonylmethyl)-1,2,3,4,6,7,12,12bbeta-octahydroindolo[2,3-a]quinolizin-3beta-yl-propionic acid-methylester
SpectraBase Compound ID 1lDwx0pHM5b
InChI InChI=1S/C22H28N2O4/c1-27-20(25)8-7-14-13-24-10-9-17-16-5-3-4-6-18(16)23-22(17)19(24)11-15(14)12-21(26)28-2/h3-6,14-15,19,23H,7-13H2,1-2H3/t14-,15-,19-/m1/s1
InChIKey XWRKJBMYTVHJDX-SPYBWZPUSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ah2BCQWzviG
Name 3-[2beta-(Methoxycarbonylmethyl)-1,2,3,4,6,7,12,12bbeta-octahydroindolo[2,3-a]quinolizin-3beta-yl-propionic acid-methylester
Alternate Name(s) Methyl 3-((2R,3S,12bR)-2-(2-methoxy-2-oxoethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-3-yl)propanoate
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Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-27-20(25)8-7-14-13-24-10-9-17-16-5-3-4-6-18(16)23-22(17)19(24)11-15(14)12-21(26)28-2/h3-6,14-15,19,23H,7-13H2,1-2H3/t14-,15-,19-/m1/s1
InChIKey XWRKJBMYTVHJDX-SPYBWZPUSA-N
Literature Reference DOI 10.1002/cber.19761090517
Molecular Weight 384.476 g/mol
SMILES [nH]1c2c(c3ccccc13)CCN1[C@@]2(C[C@@]([C@@](C1)(CCC(=O)OC)[H])(CC(OC)=O)[H])[H]
SPLASH splash10-001i-0119000000-389a2e9bc9f48cbc452b
Source of Spectrum K-109-1746-10b
Wiley ID 1794094