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(Q76755744)
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English
(8beta,9beta)-6,8-Dimethylergolin-9-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 12309935
1 reference
based on heuristic
inferred from SMILES
mass
298.168127944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(6aR,9R,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(6aS,9R,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3S,4R,7R)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-yl acetate
1 reference
based on heuristic
inferred from InChI
[(6aR,9S,10R,10aS)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
1 reference
based on heuristic
inferred from InChI
[(6aR,9S,10R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-10-yl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂N₂O₂
0 references
canonical SMILES
O=C(OC1C2C=3C=CC=C4NC=C(C43)CC2N(C)CC1C)C
0 references
isomeric SMILES
C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@H]1OC(=O)C)C
0 references
found in taxon
Aspergillus tamarii
1 reference
stated in
Production of fumigaclavine A by Aspergillus tamarii Kita
Identifiers
InChI
InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18-/m0/s1
0 references
InChIKey
GJSSYQDXZLZOLR-IMKJFWDFSA-N
0 references
PubChem CID
70678802
1 reference
matched by identifier from
InChIKey
InChIKey
GJSSYQDXZLZOLR-IMKJFWDFSA-N
ChEBI ID
67159
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18-/m0/s1
UniChem compound ID
27264325
1 reference
stated in
UniChem
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