(Q105192740)

English

(1S,10R,12R,13R,15R,16S,17R)-15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

322.168127944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂N₂O₂

0 references

canonical SMILES

[O-][N+]1(C)CC2(C=C)C3CC4OCC3C1CC52C4=NC=6C=CC=CC65

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isomeric SMILES

C=C[C@]12C[N@@+](C)([O-])[C@@H]3C[C@@]14C(=Nc1ccccc14)[C@@H]1C[C@H]2[C@H]3CO1

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found in taxon

Gelsemium elegans

1 reference

stated in

Studies on the indole alkaloids of gelsem1um elegans (thailand): structure elucidation and proposal of biogenetic route

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-19-11-22(2,23)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-24-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17+,19-,20-,22-/m1/s1

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InChIKey

OISZCFMVBRTVHR-NFFDFZIVSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OISZCFMVBRTVHR-NFFDFZIVSA-N

1 reference

(Q105192740)

(1S,10R,12R,13R,15R,16S,17R)-15-ethenyl-13-methyl-13-oxido-19-oxa-3-aza-13-azoniahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene

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Identifiers

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