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(Q105385984)
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English
[(1S,2S,3S,5S,8Z,11S)-2-hydroxy-5-methyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-9-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2-Hydroxy-5-methyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-9-yl)methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
322.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₂O₆
0 references
canonical SMILES
O=C1OC2CC(=CCCC3(OC3C(O)C2C1=C)C)COC(=O)C
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isomeric SMILES
C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C/CC[C@]3(C)O[C@H]3[C@@H](O)[C@H]12
0 references
found in taxon
Schistostephium crataegifolium
1 reference
stated in
Sesquiterpene lactones and other constituents from Schistostephium species
Identifiers
InChI
InChI=1S/C17H22O6/c1-9-13-12(22-16(9)20)7-11(8-21-10(2)18)5-4-6-17(3)15(23-17)14(13)19/h5,12-15,19H,1,4,6-8H2,2-3H3/b11-5-/t12-,13+,14-,15-,17-/m0/s1
0 references
InChIKey
ZYBRYSOZRVIJFH-IPILKAEWSA-N
0 references
PubChem CID
162883388
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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