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Cacalolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydro-3H-benzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,5S)-9-hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydro-3H-benzo[f][1]benzofuran-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC=2C(O)=C3C(=C(C2C1C)C)C(C)CCC3
0 references
isomeric SMILES
Cc1c2c(c(O)c3c1[C@H](C)C(=O)O3)CCC[C@@H]2C
0 references
found in taxon
Cacalia
1 reference
stated in
THE SESQUITERPENES OF CACALIA SPECIES. II. THE STRUCTURE OF CACALAL AND THE INTERCONVERSIONS OF THE CONSTITUENTS
Parasenecio hastata
1 reference
stated in
THE SESQUITERPENES OFCACALIASPECIES
Cacalia adenostyloides
2 references
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
stated in
Furanoeremophilane-type sesquiterpenes from Cacalia adenostyloides.
Identifiers
InChI
InChI=1S/C15H18O3/c1-7-5-4-6-10-11(7)8(2)12-9(3)15(17)18-14(12)13(10)16/h7,9,16H,4-6H2,1-3H3/t7-,9-/m0/s1
0 references
InChIKey
WNVJFXCXPGTUNO-CBAPKCEASA-N
0 references
PubChem CID
101286248
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WNVJFXCXPGTUNO-CBAPKCEASA-N
UniChem compound ID
97614291
1 reference
stated in
UniChem
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