(Q105248205)

English

[(1R,4Z,9S,11S)-11-(acetyloxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

{6-[(acetyloxy)methyl]-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

334.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4Z,9S,11R)-11-(acetyloxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,4E,9R,11R)-11-(acetyloxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(1R,4Z,9R,11S)-11-(acetyloxymethyl)-11-methyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₅

0 references

canonical SMILES

O=C(OCC1=CCCC(=C)C2CC(C)(COC(=O)C)C2CC1=O)C

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isomeric SMILES

C=C1CC/C=C(/COC(C)=O)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)COC(C)=O

0 references

Pulicaria arabica

1 reference

Caryophyllene derivatives from Pulicaria arabica

Identifiers

InChI=1S/C19H26O5/c1-12-6-5-7-15(10-23-13(2)20)18(22)8-17-16(12)9-19(17,4)11-24-14(3)21/h7,16-17H,1,5-6,8-11H2,2-4H3/b15-7-/t16-,17-,19-/m1/s1

0 references

RYXSCMSHMBXDLZ-VORKHOHGSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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