(Q105119069)

English

methyl (4aS,6S,7R,7aS)-7-methyl-1-oxo-6-(pyridine-3-carbonyloxy)-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-hydroxy-4-(methoxycarbonyl)-7-methyl-4aH,5H,6H,7H,7aH-cyclopenta[c]pyridin-6-yl pyridine-3-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

330.121571676 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₁₈N₂O₅

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canonical SMILES

COC(=O)C1=CNC(=O)C2C1CC(OC(=O)c1cccnc1)C2C

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isomeric SMILES

COC(=O)C1=CNC(=O)[C@@H]2[C@@H](C)[C@@H](OC(=O)c3cccnc3)C[C@H]12

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found in taxon

Scaevola racemigera

1 reference

stated in

Plantes de Nouvelle-Calédonie. 94e Communication. Alcaloïdes monoterpéniques deScaevola racemigeraDÄNIKER

Identifiers

InChI

InChI=1S/C17H18N2O5/c1-9-13(24-16(21)10-4-3-5-18-7-10)6-11-12(17(22)23-2)8-19-15(20)14(9)11/h3-5,7-9,11,13-14H,6H2,1-2H3,(H,19,20)/t9-,11+,13-,14+/m0/s1

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InChIKey

IRRSEZXMTJDATB-PCGAWMICSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IRRSEZXMTJDATB-PCGAWMICSA-N

1 reference

(Q105119069)

methyl (4aS,6S,7R,7aS)-7-methyl-1-oxo-6-(pyridine-3-carbonyloxy)-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridine-4-carboxylate

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