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(Q104986183)
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English
11beta,13-Dihydrozaluzanin C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
(3R,3aS,8S,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-octahydro-3H-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,3aS,6aS,8S,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S)-8beta-Hydroxy-3beta-methyl-6,9-bismethylene-3abeta,4,5,6,6abeta,7,8,9,9abeta,9balpha-decahydroazuleno[4,5-b]furan-2(3H)-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,3aS,6aS,8S,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
1 reference
based on heuristic
inferred from InChI
(3R,3aS,6aR,8S,9aR,9bS)-Decahydro-8-hydroxy-3-methyl-6,9-bis(methylene)azuleno[4,5-b]furan-2(3H)-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OC2C3C(=C)C(O)CC3C(=C)CCC2C1C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12
0 references
found in taxon
Brachylaena discolor var. transvaalensis
1 reference
stated in
Sesquiterpene lactones from Brachylaena species
Crepis mollis
1 reference
stated in
Phenolics as Chemosystematic Markers in and for the Genus Crepis (Asteraceae, Cichorieae)
Identifiers
InChI
InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8,10-14,16H,1,3-6H2,2H3/t8-,10-,11-,12-,13-,14-/m0/s1
0 references
InChIKey
DOTNUPYMOWSLMW-JNOVGYBNSA-N
0 references
PubChem CID
21629855
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DOTNUPYMOWSLMW-JNOVGYBNSA-N
UniChem compound ID
48037943
1 reference
stated in
UniChem
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