(Q82904713)

English

8-Hydroxy-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 C₂₃H₂₉NO₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

431.194402268 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₉NO₇

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based on heuristic

inferred from SMILES

canonical SMILES

COC1=C(C)C(=O)OC12C(=O)C(C)=C1C(O)CCCN3C(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)=C1C(O)CCCN3[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/C23H29NO7/c1-11-10-16(30-20(11)27)14-7-8-22-17(15(25)6-5-9-24(14)22)12(2)18(26)23(22)19(29-4)13(3)21(28)31-23/h11,14-16,25H,5-10H2,1-4H3/t11-,14-,15?,16-,22?,23+/m0/s1

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InChIKey

ZNAQDRGQMUIKMM-FCEQWVTPSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID801358414

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(Q82904713)

8-Hydroxy-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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Identifiers

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