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(Q104962650)
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English
4-(1-Chloroethyl)-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
group of stereoisomers with the chemical formula C₁₈H₂₆ClNO₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
macrolides
1 reference
inferred from
macrolides
mass
387.14486523199986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₆ClNO₆
0 references
canonical SMILES
O=C1OCC2=CCN3CCC(OC(=O)C(O)(CC(C)C1(O)C)C(Cl)C)C23
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found in taxon
Jacobaea gnaphalioides
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Senecio incanus
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Senecio pterophorus
1 reference
stated in
Diversity of pyrrolizidine alkaloids in native and invasive Senecio pterophorus (Asteraceae): implications for toxicity
Senecio cinerarius
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Jacobaea maritima
3 references
stated in
The relationship between structurally different pyrrolizidine alkaloids and western flower thrips resistance in F(2) hybrids of Jacobaea vulgaris and Jacobaea aquatica
stated in
The genotype dependent presence of pyrrolizidine alkaloids as tertiary amine in Jacobaea vulgaris
stated in
Differential tissue distribution of metabolites in Jacobaea vulgaris, Jacobaea aquatica and their crosses.
Jacobaea vulgaris
1 reference
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
Identifiers
InChI
InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3
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InChIKey
CKPJPJSVQMEGBC-UHFFFAOYSA-N
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CAS Registry Number
480-75-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
119200
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CKPJPJSVQMEGBC-UHFFFAOYSA-N
UniChem compound ID
63224311
1 reference
stated in
UniChem
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