(Q105152359)

English

2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,5S,7aR,12bS,13R)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

methyl (13E)-13-ethylidene-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate

1 reference

1 reference

322.168127944 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,10R,12S,13Z,18R)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,10R,12S,18R)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,10S,12R,13E,18S)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

1 reference

1 reference

methyl (1S,10R,12S,13E,18R)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂N₂O₂

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canonical SMILES

O=C(OC)C1C2C(=CC)CN3CCC41C=5C=CC=CC5N=C4C3C2

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isomeric SMILES

C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[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

Alstonia macrophylla

1 reference

stated in

Indole alkaloids from leaves of Alstonia macrophylla in the Philippines

Identifiers

InChI

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

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InChIKey

LITYYRLWHAQJQS-HTPSJYFDSA-N

0 references

CAS Registry Number

2222298-66-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LITYYRLWHAQJQS-HTPSJYFDSA-N

ChEBI ID

181709

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

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

1 reference

1 reference

matched by identifier from

InChIKey

LITYYRLWHAQJQS-HTPSJYFDSA-N

(Q105152359)

2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,5S,7aR,12bS,13R)-

Statements

Identifiers

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