(Q83001053)

English

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate

group of stereoisomers with the chemical formula C₃₄H₅₅NO₄

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

541.4131092399999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₅NO₄

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based on heuristic

inferred from SMILES

canonical SMILES

Cc1c(C)c2c(c(C)c1OC(=O)C1CCC(O)=N1)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Cc1c(C)c2c(c(C)c1OC(=O)[C@@H]1CCC(=O)N1)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H55NO4/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-34(8)21-19-28-27(7)31(25(5)26(6)32(28)39-34)38-33(37)29-17-18-30(36)35-29/h22-24,29H,9-21H2,1-8H3,(H,35,36)/t23-,24-,29+,34?/m1/s1

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InChIKey

QAOJIFDDCZMUON-KANMBENISA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401432480

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(Q83001053)

2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate

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