(Q105150834)

English

methyl (1R,9R,12R,13E,18S)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (1R,9R,12R,13E,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (13E)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0⁹,¹⁵]octadeca-2,4,6-triene-18-carboxylate

1 reference

1 reference

368.209992756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈N₂O₃

0 references

canonical SMILES

O=C(OC)C1C2C(=CC)CN3CCC41C5=CC(OC)=CC=C5N(C)C34CC2

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isomeric SMILES

C/C=C1/CN2CC[C@@]34c5cc(OC)ccc5N(C)[C@@]23CC[C@@H]1[C@@H]4C(=O)OC

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found in taxon

Tonduzia longifolia

2 references

stated in

Alkaloids from alstonia undulifolia

stated in

Alkaloids from tonduzia pittieri

Alstonia costata

1 reference

stated in

Alcaloïdes d'Alstonia vitiensis var. Novo ebudica monachino

Identifiers

InChI

InChI=1S/C22H28N2O3/c1-5-14-13-24-11-10-21-17-12-15(26-3)6-7-18(17)23(2)22(21,24)9-8-16(14)19(21)20(25)27-4/h5-7,12,16,19H,8-11,13H2,1-4H3/b14-5-/t16-,19+,21-,22-/m0/s1

0 references

InChIKey

LEWDAIUYDSBFND-BTUDAIRQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEWDAIUYDSBFND-BTUDAIRQSA-N

(Q105150834)

methyl (1R,9R,12R,13E,18S)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate

Statements

Identifiers

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