(Q104932452)

English

methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-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

0 references

1 reference

1 reference

338.163042564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1R,9R,11S,14E,15R,17S,19S)-14-ethylidene-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

C₂₀H₂₂N₂O₃

0 references

canonical SMILES

O=C(OC)C1C2C(=CC)CN3C4OC5(NC=6C=CC=CC6C15C4)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@H]5C(=O)OC

0 references

found in taxon

Alstonia macrophylla

1 reference

stated in

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

Alstonia spathulata

1 reference

stated in

Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine

Alstonia scholaris

1 reference

stated in

A new indole alkaloid from Alstonia scholaris

Hunteria zeylanica

1 reference

stated in

Alkaloids of Hunteria zeylanica

Melodinus hemsleyanus

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Melodinus fusiformis

1 reference

stated in

Alkaloids from Melodinus hemsleyanus

Identifiers

InChI

InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1

0 references

InChIKey

BDXYPHKGNUGUFG-VETGLWQVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BDXYPHKGNUGUFG-VETGLWQVSA-N

ChEBI ID

70505

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1

(Q104932452)

methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-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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