(Q105024861)

English

methyl (1R,9R,14E,15R,16S,19R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (1S,9S,14E,16R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

1 reference

1 reference

366.194342692 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,9R,15R,16S,19R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,9S,14Z,15S,16R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₆N₂O₃

0 references

canonical SMILES

O=C(OC)C12COC34N(C=5C=CC=CC5C42CCN6CC(=CC)C1CC63)C

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isomeric SMILES

C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]35OC[C@]4(C(=O)OC)[C@@H]1C[C@@H]25

0 references

found in taxon

Alstonia scholaris

1 reference

stated in

Alkaloids of Alstonia scholaris from Thailand

Identifiers

InChI

InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4-/t16-,18-,20-,21-,22+/m1/s1

0 references

InChIKey

HAGBWVNSVWLTKY-KAYJERQESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HAGBWVNSVWLTKY-KAYJERQESA-N

(Q105024861)

methyl (1R,9R,14E,15R,16S,19R)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate

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