(Q76154901)

English

methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

chemical compound

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1 reference

methyl (2R)-2-[(2S,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

1 reference

based on heuristic

inferred from SMILES

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

1 reference

based on heuristic

inferred from InChI

methyl (2R)-2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C(OC)C(CO)C1CC2C=3NC=4C=CC=CC4C3CCN2CC1C=C

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isomeric SMILES

COC(=O)[C@@H](CO)[C@H]1C[C@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3

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found in taxon

Alstonia angustifolia

1 reference

stated in

Alkaloids from Alstonia angustifolia

Strychnos pungens

2 references

stated in

Alkaloids from Strychnos pungens

stated in

THE STRYCHNOS ALKALOIDS

Alstonia balansae

1 reference

stated in

Alkaloids from alstonia undulifolia

Rauvolfia caffra

1 reference

stated in

Stem bark alkaloids of Rauvolfia caffra

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,13,16-17,19,22,24H,1,8-12H2,2H3/t13-,16-,17-,19-/m0/s1

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InChIKey

JGKCGXVOATXMRM-UHEFJODHSA-N

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PubChem CID

3050539

1 reference

matched by identifier from

InChIKey

JGKCGXVOATXMRM-UHEFJODHSA-N

1 reference

(Q76154901)

methyl (2R)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-hydroxypropanoate

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