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(2S,3R,12bR)-3-Acetyl-2-{[2-(3-indolyl)ethylcarbamoyl](methoxycarbonyl)methyl}-1,2,3.4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SpectraBase Compound ID 2nHs6QsjTZI
InChI InChI=1S/C31H34N4O4/c1-18(36)24-17-35-14-12-22-21-8-4-6-10-26(21)34-29(22)27(35)15-23(24)28(31(38)39-2)30(37)32-13-11-19-16-33-25-9-5-3-7-20(19)25/h3-10,16,23-24,27-28,33-34H,11-15,17H2,1-2H3,(H,32,37)/t23-,24+,27+,28?/m0/s1
InChIKey QEEJFDNFAQSAFH-HEFFBXNTSA-N
Mol Weight 526.6 g/mol
Molecular Formula C31H34N4O4
Exact Mass 526.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwguNUBGfhI
Name (2S,3R,12bR)-3-Acetyl-2-{[2-(3-indolyl)ethylcarbamoyl](methoxycarbonyl)methyl}-1,2,3.4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
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Formula C31H34N4O4
InChI InChI=1S/C31H34N4O4/c1-18(36)24-17-35-14-12-22-21-8-4-6-10-26(21)34-29(22)27(35)15-23(24)28(31(38)39-2)30(37)32-13-11-19-16-33-25-9-5-3-7-20(19)25/h3-10,16,23-24,27-28,33-34H,11-15,17H2,1-2H3,(H,32,37)/t23-,24+,27+,28?/m0/s1
InChIKey QEEJFDNFAQSAFH-HEFFBXNTSA-N
Molecular Weight 526.637 g/mol
SMILES [nH]1c2[C@]3(C[C@](C(C(NCCc4c5ccccc5[nH]c4)=O)C(OC)=O)([C@](CN3CCc2c2c1cccc2)(C(=O)C)[H])[H])[H]
SPLASH splash10-001l-0910000000-445588bc49610121ab98
Source of Spectrum K-108-256-12
Synonyms Methyl 3-((2-(1H-indol-3-yl)ethyl)amino)-2-((2S,3R,12bR)-3-acetyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-oxopropanoate
Wiley ID 1793805