(Q105213100)

English

methyl (1S,10S,11S,12E,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl (10R,12E)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (12E)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.0¹,⁹.0³,⁸.0¹⁴,¹⁷]octadeca-3,5,7-triene-10-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

338.163042564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,10S,11S,12Z,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₃

0 references

canonical SMILES

O=C(OC)C1N2C=3C=CC=CC3C(=O)C24CCN5CC(=CC)C1CC54

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isomeric SMILES

C/C=C1/CN2CC[C@]34C(=O)c5ccccc5N3[C@H](C(=O)OC)[C@H]1C[C@H]24

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found in taxon

Alstonia costata

1 reference

stated in

Alcaloïdes des feuilles et écorces de tronc d'Alstonia odontophora

Identifiers

InChI

InChI=1S/C20H22N2O3/c1-3-12-11-21-9-8-20-16(21)10-14(12)17(19(24)25-2)22(20)15-7-5-4-6-13(15)18(20)23/h3-7,14,16-17H,8-11H2,1-2H3/b12-3-/t14-,16-,17-,20-/m0/s1

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InChIKey

PPYARVBMTFPVQA-UCQAGNQTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PPYARVBMTFPVQA-UCQAGNQTSA-N

1 reference

(Q105213100)

methyl (1S,10S,11S,12E,17S)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.01,9.03,8.014,17]octadeca-3,5,7-triene-10-carboxylate

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Identifiers

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