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(Q104396512)
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Herbolide B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4,9,14-Trimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-3-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
308.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,3S,4S,6R,9E,11R,14S)-4,9,14-trimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-3-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1S,3S,4S,6R,9E,11S,14S)-4,9,14-trimethyl-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-3-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₅
0 references
canonical SMILES
O=C(OC1CC2C(OC(=O)C2C)C=C(C)CCC3OC13C)C
0 references
isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2[C@@H](/C=C(/C)CC[C@H]3O[C@]13C)OC(=O)[C@H]2C
0 references
found in taxon
Artemisia fragrans
1 reference
stated in
Germacranolides and a monoterpene cyclic peroxide from Artemisia fragrans
Artemisia herba-alba
3 references
stated in
The sesquiterpene lactones from two populations of Artemisia herba alba
stated in
New Germacranolides and Eudesmanolides from North African Artemisia herba-alba
stated in
Chemotypes of Artemisia herba-alba in Israel based on their sesquiterpene lactone and essential oil constitution
Identifiers
InChI
InChI=1S/C17H24O5/c1-9-5-6-14-17(4,22-14)15(20-11(3)18)8-12-10(2)16(19)21-13(12)7-9/h7,10,12-15H,5-6,8H2,1-4H3/b9-7-/t10-,12-,13+,14+,15-,17-/m0/s1
0 references
InChIKey
FIERCWGNGPBXJU-CUMAYGAMSA-N
0 references
PubChem CID
101316780
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FIERCWGNGPBXJU-CUMAYGAMSA-N
UniChem compound ID
97366334
1 reference
stated in
UniChem
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