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(Q105172673)
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3-Oxo-grandolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S,3aS,5R,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,3aS,5S,6aR,9S,9aR,9bS)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,3aR,5S,6aS,9R,9aS,9bR)-5-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C1OC2C(CC(O)C(=C)C3CC(=O)C(C)C23)C1C
0 references
isomeric SMILES
C=C1[C@@H](O)C[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12
0 references
found in taxon
Liabum floribundum
2 references
stated in
Guaianolides and other constituents from Liabum floribundum
stated in
Guaianolides and other constituents from Liabum floribundum
Arctotis stoechadifolia
3 references
stated in
Isolation and structures of sesquiterpene lactones: Aerial parts of Arctotis grandis THUNB. species
stated in
A further guaianolide from Arctotis grandis
stated in
Isolation and structures of sesquiterpene lactones: Aerial parts of Arctotis grandis THUNB. species
Lepidaploa sagraeana
2 references
stated in
Isolation and structures of sesquiterpene lactones: Aerial parts of Arctotis grandis THUNB. species
stated in
Sesquiterpenic Lactones of Some Species of Genus Vernonia SCHREB.
Identifiers
InChI
InChI=1S/C15H20O4/c1-6-9-4-12(17)8(3)13(9)14-10(5-11(6)16)7(2)15(18)19-14/h7-11,13-14,16H,1,4-5H2,2-3H3/t7-,8+,9-,10-,11-,13-,14-/m0/s1
0 references
InChIKey
MUROMQNYCWNWFJ-NKEBMMLZSA-N
0 references
PubChem CID
44457161
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MUROMQNYCWNWFJ-NKEBMMLZSA-N
UniChem compound ID
447578
1 reference
stated in
UniChem
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