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Chloroklotzchin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10-Chloro-9,11-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
1 reference
based on heuristic
inferred from SMILES
mass
314.092101388
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2S,6S,9R,10R,11R,12S,14R)-10-chloro-9,11-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₉ClO₅
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(O)(C)C3(Cl)C(O)C4OC4(C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]1(Cl)[C@@H]2[C@@]2(C)O[C@H]2[C@H]1O
0 references
found in taxon
Artemisia klotzschiana
1 reference
stated in
Sesquiterpene lactones of artemisia klotzchiana
Artemisia klotzchiana
1 reference
stated in
Sesquiterpene lactones of artemisia klotzchiana
Identifiers
InChI
InChI=1S/C15H19ClO5/c1-6-7-4-5-13(2,19)15(16)9(8(7)20-12(6)18)14(3)11(21-14)10(15)17/h7-11,17,19H,1,4-5H2,2-3H3/t7-,8-,9-,10+,11-,13+,14+,15+/m0/s1
0 references
InChIKey
COKJUIGSSAZQSU-CQWRAAPUSA-N
0 references
PubChem CID
101288316
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97051260
1 reference
stated in
UniChem
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