(Q105236236)

English

methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from SMILES

methyl (14Z)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

366.157957184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,9S,11S,14E,15S,17S,19S)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,9S,11S,15R,17R,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,9S,11S,14Z,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₂N₂O₄

0 references

canonical SMILES

O=CC1(C(=O)OC)C2C(=CC)CN3C4OC5(NC=6C=CC=CC6C51C4)C3C2

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isomeric SMILES

C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(C=O)C(=O)OC

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found in taxon

Alstonia macrophylla

2 references

stated in

Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.

stated in

Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.

Hunteria zeylanica

1 reference

stated in

Alkaloids of Hunteria zeylanica

Melodinus hemsleyanus

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Amsonia tomentosa

1 reference

stated in

Alkaloids of Amsonia brevifolia

Alstonia scholaris

3 references

stated in

Alschomine and isoalschomine, new alkaloids from the leaves of Alstonia scholaris

stated in

Alkaloids from the leaves of Alstonia scholaris in Taiwan, Thailand, Indonesia and the Philippines

stated in

Alstonic acids A and B, unusual 2,3-secofernane triterpenoids from Alstonia scholaris

Melodinus fusiformis

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Amsonia tomentosa var. tomentosa

1 reference

stated in

Alkaloids of Amsonia brevifolia

Identifiers

InChI

InChI=1S/C21H22N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,11,14,16-17,22H,8-10H2,1-2H3/b12-3-/t14-,16-,17-,19-,20-,21-/m0/s1

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InChIKey

RHBAENOZUZWALZ-GGZNVOGHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHBAENOZUZWALZ-GGZNVOGHSA-N

1 reference

(Q105236236)

methyl (1R,9S,11S,14E,15S,17S,19R)-14-ethylidene-19-formyl-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate

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