(Q82292873)

English

TRI048

group of stereoisomers with the chemical formula C₁₇H₂₇NO₆

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Statements

group of stereoisomers

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chemical compound

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341.18383758399995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₇H₂₇NO₆

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canonical SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C12CC3CC(O)(CC(O)(C3)C1)C2

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC3C[C@](C1)(C[C@@](C3)(C2)O)O

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Identifiers

InChI=1S/C17H27NO6/c1-14(2,3)24-13(21)18-11(12(19)20)15-4-10-5-16(22,7-15)9-17(23,6-10)8-15/h10-11,22-23H,4-9H2,1-3H3,(H,18,21)(H,19,20)/t10?,11-,15?,16-,17+/m1/s1

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ZNYYESJIBYSDAL-HBMIPKKFSA-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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DSSTOX compound identifier

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