(Q105142327)

English

[(1S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-yl] acetate

group of stereoisomers with the chemical formula C₁₇H₂₈O₃

In more languages

Statements

group of stereoisomers

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guaiane sesquiterpenoid

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guaiane sesquiterpenoid

280.203844756 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₈O₃

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canonical SMILES

O=C(OC1CC2CC3(OC2(C)C)C(C)CCC3C1C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@H]2C[C@]3(OC2(C)C)C(C)CC[C@@H]3[C@H]1C

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Ligularia veitchiana

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Sesquiterpenes from Roots of Lingularia veitchiana.

Identifiers

InChI=1S/C17H28O3/c1-10-6-7-14-11(2)15(19-12(3)18)8-13-9-17(10,14)20-16(13,4)5/h10-11,13-15H,6-9H2,1-5H3/t10?,11-,13-,14-,15+,17+/m1/s1

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KKRIHDXNMYBHAJ-SWRLDDPSSA-N

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17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

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