(Q105185522)

English

methyl (13Z,14S,16S,18S)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (13E)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

Methyl 13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

322.168127944 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (13Z,14S,16S,18R)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₂

0 references

canonical SMILES

O=C(OC)C1N2C=3C=CC=CC3C4=C2C5N(CC(=CC)C1C5)CC4

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isomeric SMILES

C/C=C1\CN2CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42

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found in taxon

Alstonia balansae

1 reference

stated in

Some alkaloids of Alstonia undulata

Kopsia dasyrachis

1 reference

stated in

Alkaloids from Kopsia dasyrachis

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-12-11-21-9-8-14-13-6-4-5-7-16(13)22-18(14)17(21)10-15(12)19(22)20(23)24-2/h3-7,15,17,19H,8-11H2,1-2H3/b12-3+/t15-,17-,19-/m0/s1

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InChIKey

NTMOAQDHNZYZMZ-GBNQBNCQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NTMOAQDHNZYZMZ-GBNQBNCQSA-N

1 reference

(Q105185522)

methyl (13Z,14S,16S,18S)-13-ethylidene-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

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