(Q104888188)

English

methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-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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instance of

type of chemical entity

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subclass of

Methyl 13-ethylidene-18-hydroxy-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,9R,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-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,10S,12S,13E,18R)-13-ethylidene-18-hydroxy-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,9R,10S,12S,13Z,16S,17R,18S)-13-ethylidene-18-hydroxy-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

352.178692628 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₃

0 references

canonical SMILES

O=C(OC)C12C(O)C34C=5C=CC=CC5NC4C6N(CC(=CC)C1C6)C2C3

0 references

isomeric SMILES

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

0 references

found in taxon

Alstonia macrophylla

1 reference

stated in

Alkaloids from Alstonia macrophylla

Alstonia angustifolia

2 references

stated in

Alkaloids from Alstonia angustifolia

stated in

Alkaloids from Alstonia angustifolia

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 muelleriana

1 reference

stated in

Further alkaloids of Alstonia muelleriana

Alstonia odontophora

1 reference

stated in

Alcaloïdes des feuilles et écorces de tronc d'Alstonia odontophora

Alstonia spectabilis

1 reference

stated in

Tertiary Alkaloids of Alstonia spectabilis and Alstonia glabriflora (Apocynaceae)

Alstonia sphaerocapitata

1 reference

stated in

Alkaloids of Alstonia sphaerocapitata

Aspidosperma quebracho-blanco

1 reference

stated in

Q105240538

Petchia madagascariensis

1 reference

stated in

Alcaloides du Cabucala torulosa

Ochrosia acuminata

1 reference

stated in

New indole alkaloids from the roots of Ochrosia acuminata

Petchia erythrocarpa

1 reference

stated in

Alcaloïdes du Cabucala erythrocapra var. erythrocarpa

Identifiers

InChI

InChI=1S/C21H24N2O3/c1-3-11-10-23-15-8-13(11)21(19(25)26-2)16(23)9-20(18(21)24)12-6-4-5-7-14(12)22-17(15)20/h3-7,13,15-18,22,24H,8-10H2,1-2H3/b11-3-/t13-,15-,16-,17+,18-,20+,21+/m0/s1

0 references

InChIKey

RLUORQGMBKDXPO-HAPGVSDASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104888188)

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

Statements

Identifiers

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