(Q105268393)

English

(1R,9S,10S,12R,13E,15R,18R)-13-ethylidene-18-(methoxycarbonyl)-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-trien-15-ium-15-olate

chemical compound

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instance of

type of chemical entity

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subclass of

Cathafoline N(4)-oxide

1 reference

based on heuristic

inferred from SMILES

13-ethylidene-18-(methoxycarbonyl)-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-trien-15-ium-15-olate

1 reference

based on heuristic

inferred from SMILES

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

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canonical SMILES

O=C(OC)C1C2C(=CC)C[N+]3([O-])CCC41C=5C=CC=CC5N(C)C4C3C2

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isomeric SMILES

C/C=C1/C[N@+]2([O-])CC[C@@]34c5ccccc5N(C)[C@@H]3[C@@H]2C[C@@H]1[C@H]4C(=O)OC

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found in taxon

Alstonia angustifolia

1 reference

stated in

Alkaloids from Alstonia angustifolia

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-4-13-12-23(25)10-9-21-15-7-5-6-8-16(15)22(2)19(21)17(23)11-14(13)18(21)20(24)26-3/h4-8,14,17-19H,9-12H2,1-3H3/b13-4-/t14-,17-,18-,19+,21-,23+/m0/s1

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InChIKey

TZTSOWBLAOOMOT-VPKNGSFWSA-N

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(Q105268393)

(1R,9S,10S,12R,13E,15R,18R)-13-ethylidene-18-(methoxycarbonyl)-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-trien-15-ium-15-olate

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Identifiers

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