(Q104399096)

English

methyl (E)-2-[(2S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

group of stereoisomers with the chemical formula C₂₃H₃₀N₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

indolo[2,3-a]quinolizine alkaloid

1 reference

inferred from

indolo[2,3-a]quinolizine alkaloid

mass

398.2205574399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₃H₃₀N₂O₄

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canonical SMILES

O=C(OC)C(=COC)C1CC2C=3NC=4C=CC=C(OC)C4C3CCN2CC1CC

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isomeric SMILES

CCC1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

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Identifiers

InChI

InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14?,16-,19-/m0/s1

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InChIKey

LELBFTMXCIIKKX-STILVGNPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

LELBFTMXCIIKKX-STILVGNPSA-N

SureChEMBL ID

SCHEMBL13706908

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LELBFTMXCIIKKX-STILVGNPSA-N

1 reference

(Q104399096)

methyl (E)-2-[(2S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

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Identifiers

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