(Q105032728)

English

methyl (13E,14S,16S,18S)-13-ethylidene-9-oxo-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

336.1473925 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₀N₂O₃

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canonical SMILES

O=C(OC)C1N2C=3C=CC=CC3C=4C(=O)CN5CC(=CC)C1CC5C42

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isomeric SMILES

C/C=C1/CN2CC(=O)c3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42

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found in taxon

Alstonia angustifolia

1 reference

stated in

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Identifiers

InChI

InChI=1S/C20H20N2O3/c1-3-11-9-21-10-16(23)17-12-6-4-5-7-14(12)22-18(20(24)25-2)13(11)8-15(21)19(17)22/h3-7,13,15,18H,8-10H2,1-2H3/b11-3-/t13-,15-,18-/m0/s1

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InChIKey

HRMWXBDXMIISES-LRTFYCIKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HRMWXBDXMIISES-LRTFYCIKSA-N

1 reference

(Q105032728)

methyl (13E,14S,16S,18S)-13-ethylidene-9-oxo-1,11-diazapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraene-18-carboxylate

Statements

Identifiers

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