(Q104936914)

English

methyl (1S,11S,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

322.168127944 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₂

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canonical SMILES

O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CCC1C(=CC)C54

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isomeric SMILES

C/C=C1\[C@@H]2CCN3CC[C@@]4(C(=C2C(=O)OC)Nc2ccccc24)[C@@H]13

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found in taxon

Alstonia angustiloba

1 reference

stated in

Angustilobine and andranginine type indole alkaloids and an uleine-secovallesamine bisindole alkaloid from Alstonia angustiloba.

Catharanthus roseus

1 reference

stated in

Alkaloid accumulation in Catharanthus roseus cell suspension cultures fed with stemmadenine

Identifiers

InChI

InChI=1S/C20H22N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h3-7,13,18,21H,8-11H2,1-2H3/b12-3+/t13-,18+,20+/m0/s1

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InChIKey

BJAFGFIFFFKGKA-QVFNXPESSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BJAFGFIFFFKGKA-QVFNXPESSA-N

1 reference

(Q104936914)

methyl (1S,11S,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate

Statements

Identifiers

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