(Q82904711)

English

3'-Methoxy-4',9-dimethyl-3-(4-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,8-hexahydro-1H,5'H,10H-spiro[cyclopenta[b]pyrrolo[1,2-a]azepine-11,2'-furan]-5',10-dione

group of stereoisomers with the chemical formula C₂₃H₂₉NO₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

415.19948764799994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₉NO₆

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based on heuristic

inferred from SMILES

canonical SMILES

COC1=C(C)C(=O)OC12C(=O)C(C)=C1CCCCN3C(C4CC(C)C(=O)O4)CCC132

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=C(C)C(=O)O[C@]12C(=O)C(C)=C1CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CCC132

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C23H29NO6/c1-12-11-17(29-20(12)26)16-8-9-22-15(7-5-6-10-24(16)22)13(2)18(25)23(22)19(28-4)14(3)21(27)30-23/h12,16-17H,5-11H2,1-4H3/t12-,16-,17-,22?,23+/m0/s1

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InChIKey

SKYPPFSYUDCEQR-AIBMGHALSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID101358413

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(Q82904711)

3'-Methoxy-4',9-dimethyl-3-(4-methyl-5-oxooxolan-2-yl)-2,3,5,6,7,8-hexahydro-1H,5'H,10H-spiro[cyclopenta[b]pyrrolo[1,2-a]azepine-11,2'-furan]-5',10-dione

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