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(Q105305025)
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Ketopelenolide D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2CC(C(=O)CC3OC3(C)CCC2C1C)C
0 references
isomeric SMILES
C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]2(C)O[C@@H]2CC1=O
0 references
found in taxon
Artemisia arborescens
1 reference
stated in
Stereostructure assignment of medium-sized rings through an NMR-computational combined approach. Application to the new germacranes ketopelenolides C and D.
Identifiers
InChI
InChI=1S/C15H22O4/c1-8-6-12-10(9(2)14(17)18-12)4-5-15(3)13(19-15)7-11(8)16/h8-10,12-13H,4-7H2,1-3H3/t8-,9-,10-,12+,13+,15+/m0/s1
0 references
InChIKey
WGXCGTITYIOZAU-FBURBDLBSA-N
0 references
PubChem CID
25178792
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WGXCGTITYIOZAU-FBURBDLBSA-N
UniChem compound ID
33787275
1 reference
stated in
UniChem
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