(Q105137449)

English

methyl (12R,13R,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

vallesaman alkaloid

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mass

340.178692628 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄N₂O₃

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canonical SMILES

O=C(OC)C1(C=2NC=3C=CC=CC3C2CN4CC(=CC)C1CC4)CO

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isomeric SMILES

C/C=C1/CN2CC[C@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2

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found in taxon

Tabernaemontana citrifolia

1 reference

stated in

Studies on Natural Products from Cuban Plants. Alkaloids fromTabernaemontana citrifolia

Identifiers

InChI

InChI=1S/C20H24N2O3/c1-3-13-10-22-9-8-16(13)20(12-23,19(24)25-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m1/s1

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InChIKey

JZKSIYFJGCTTET-WPVWGPSVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JZKSIYFJGCTTET-WPVWGPSVSA-N

1 reference

(Q105137449)

methyl (12R,13R,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate

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