(Q105350371)

English

(5R,8R)-8-[(3S)-3-hydroxybutyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one

group of stereoisomers with the chemical formula C₁₃H₂₂O₃

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Statements

group of stereoisomers

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1 reference

226.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₂O₃

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canonical SMILES

O=C1CC2(OCC(C)(C1)C2CCC(O)C)C

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isomeric SMILES

C[C@H](O)CC[C@@H]1C2(C)CO[C@]1(C)CC(=O)C2

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Identifiers

InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h9,11,14H,4-8H2,1-3H3/t9-,11+,12?,13+/m0/s1

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YLXMIDJRRREVMX-PFVKNQRRSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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