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(Q105151189)
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English
Acetic acid 1-methyl-1-[(3R,4S,5S)-3-isopropenyl-5-(hydroxymethyl)-1,2-dioxolan-4-yl]ethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[3-(Hydroxymethyl)-5-prop-1-en-2-yldioxolan-4-yl]propan-2-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
244.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₅
0 references
canonical SMILES
O=C(OC(C)(C)C1C(OOC1CO)C(=C)C)C
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isomeric SMILES
C=C(C)[C@@H]1OO[C@H](CO)[C@H]1C(C)(C)OC(C)=O
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found in taxon
Artemisia fragrans
1 reference
stated in
Germacranolides and a monoterpene cyclic peroxide from Artemisia fragrans
Artemisia sieberi
1 reference
stated in
Germacranolides and a monoterpene cyclic peroxide from Artemisia fragrans
Identifiers
InChI
InChI=1S/C12H20O5/c1-7(2)11-10(9(6-13)16-17-11)12(4,5)15-8(3)14/h9-11,13H,1,6H2,2-5H3/t9-,10-,11+/m1/s1
0 references
InChIKey
LFWRRUVXZZPXFE-MXWKQRLJSA-N
0 references
PubChem CID
102317074
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97133527
1 reference
stated in
UniChem
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