(Q105185670)

English

methyl (2R,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

350.163042564 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S,12bS)-2-(1-oxobut-2-en-2-yl)-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2R,12bS)-2-[(E)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂N₂O₃

0 references

canonical SMILES

O=CC(=CC)C1C(=CN2CCC=3C=4C=CC=CC4NC3C2C1)C(=O)OC

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isomeric SMILES

C/C=C(\C=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C=C1C(=O)OC

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found in taxon

Chimarrhis turbinata

1 reference

stated in

An Unprecedented Neolignan Skeleton fromChimarrhis turbinata

Identifiers

InChI

InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19+/m1/s1

0 references

InChIKey

NTVLUSJWJRSPSM-BEMAIXDQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTVLUSJWJRSPSM-BEMAIXDQSA-N

(Q105185670)

methyl (2R,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate

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