(Q105269651)

English

methyl (1R,9R,10S,12S,13E,16S,17R,18S)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

chemical compound

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1 reference

methyl (1R,9S,10S,12S,13Z,16S,17R,18S)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1R,9S,10S,12S,13E,16S,17R,18S)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (1R,13E,16S)-18-(acetyloxy)-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

Methyl 18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

Methyl (1R,9S,10S,12R,13E,16S)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

408.204907376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈N₂O₄

0 references

canonical SMILES

O=C(OC1C23C=4C=CC=CC4N(C)C3C5N6CC(=CC)C(C5)C1(C(=O)OC)C6C2)C

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isomeric SMILES

C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@@H]32)[C@@H]1OC(C)=O

0 references

found in taxon

Alstonia constricta

1 reference

stated in

14-Ketoalstonidine and Other Alkaloidal Constituents of the Stem Bark of Alstonia constricta

Alstonia mollis

1 reference

stated in

14-Ketoalstonidine and Other Alkaloidal Constituents of the Stem Bark of Alstonia constricta

Alstonia sphaerocapitata

1 reference

stated in

Alkaloids of Alstonia sphaerocapitata

Alstonia balansae

1 reference

stated in

Some alkaloids of Alstonia undulata

Identifiers

InChI

InChI=1S/C24H28N2O4/c1-5-14-12-26-18-10-16(14)24(22(28)29-4)19(26)11-23(21(24)30-13(2)27)15-8-6-7-9-17(15)25(3)20(18)23/h5-9,16,18-21H,10-12H2,1-4H3/b14-5-/t16-,18-,19-,20-,21-,23+,24+/m0/s1

0 references

InChIKey

UBTOXVLVFCOIGT-VNIZWQKUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBTOXVLVFCOIGT-VNIZWQKUSA-N

(Q105269651)

methyl (1R,9R,10S,12S,13E,16S,17R,18S)-18-acetyloxy-13-ethylidene-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate

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