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(Q83038920)
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English
Allodesacetylconfertiflorin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pseudoguaiane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3aS,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
2,3-Dihydrohelenalin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
carpesiolin
1 reference
based on heuristic
inferred from InChI
(3aR,5R,5aS,8aR,9S,9aR)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
C=C1C(=O)OC2CC(C)C3CCC(=O)C3(C)C(O)C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1CCC3=O)C)O)C(=C)C(=O)O2
0 references
Identifiers
InChI
InChI=1S/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7,9-10,12-13,17H,2,4-6H2,1,3H3/t7-,9-,10-,12+,13+,15-/m0/s1
0 references
InChIKey
IOUNDPHKKPZPKB-RUGIBXIASA-N
0 references
CAS Registry Number
17235-05-1
0 references
PubChem CID
71300425
1 reference
matched by identifier from
InChIKey
InChIKey
IOUNDPHKKPZPKB-RUGIBXIASA-N
UniChem compound ID
57914226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10169258
1 reference
matched by identifier from
InChIKey
InChIKey
IOUNDPHKKPZPKB-RUGIBXIASA-N
DSSTOX compound identifier
DTXCID3091749
0 references
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