(Q83027552)

English

P 7618

group of stereoisomers with the chemical formula C₃₁H₄₁NO₃

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Statements

group of stereoisomers

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chemical compound

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475.30864417199996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₁NO₃

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canonical SMILES

COC1(c2cccc(OC(=O)CCC3CCCC3)c2)C2CCCC1CN(CCc1ccccc1)C2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1([C@@H]2CCC[C@H]1CN(C2)CCC3=CC=CC=C3)C4=CC(=CC=C4)OC(=O)CCC5CCCC5

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Identifiers

InChI=1S/C31H41NO3/c1-34-31(26-13-8-16-29(21-26)35-30(33)18-17-24-11-5-6-12-24)27-14-7-15-28(31)23-32(22-27)20-19-25-9-3-2-4-10-25/h2-4,8-10,13,16,21,24,27-28H,5-7,11-12,14-15,17-20,22-23H2,1H3/t27-,28+,31?

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FDQBRSGRJUCKAG-SWRQNJEFSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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matched by identifier from

FDQBRSGRJUCKAG-SWRQNJEFSA-N

DSSTOX compound identifier

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