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(Q105017867)
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English
(1S,2S,4R,7E,11S,12R)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4,8,12-Trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2S,4R,7E,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1a,5,8-Trimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
11beta,13-Dihydroparthenolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2R,4R,11S,12S)-4,8,12-trimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2C3OC3(C)CCC=C(C)CCC2C1C
0 references
isomeric SMILES
C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2CC1
0 references
found in taxon
Magnolia compressa
1 reference
stated in
Anticancer sesquiterpene lactones of Michelia compressa (magnoliaceae)
Achillea collina
1 reference
stated in
Chemotypes in Achillea collina based on sesquiterpene lactone profile
Carpesium longifolium
1 reference
stated in
Xanthanolides, germacranolides, and other constituents from Carpesium longifolium
Magnolia grandiflora
1 reference
stated in
Cytotoxic sesquiterpenoids from the leaves of Magnolia grandiflora
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,10-13H,4,6-8H2,1-3H3/b9-5+/t10-,11+,12+,13+,15-/m1/s1
0 references
InChIKey
GSVWPONNFJXHJL-ZULJFXBDSA-N
0 references
PubChem CID
163077852
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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