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(Q82931742)
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Crosemperine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,4R,5S,6R,16S)-6,16-dihydroxy-5,6,13-trimethyl-4-propan-2-yl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione
1 reference
based on heuristic
inferred from SMILES
mass
368.20676410009
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₀NO₆⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OC2CC[N+]3(C)CC=C(COC(=O)C(O)(C)C(C)C1C(C)C)C23O
0 references
isomeric SMILES
C[C@H]1[C@H](C(=O)O[C@@H]2CC[N@+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C)C(C)C
0 references
found in taxon
Crotalaria aegyptiaca
2 references
stated in
Pyrrolizidine alkaloids from Crotalaria aegyptiaca
stated in
Pyrrolizidine Alkaloids From Middle Eastern Plants
Crotalaria semperflorens
2 references
stated in
Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968
stated in
Crosemperine, a new otonecine ester from Crotalaria semperflorens Vent
Identifiers
InChI
InChI=1S/C19H30NO6/c1-11(2)15-12(3)18(4,23)17(22)25-10-13-6-8-20(5)9-7-14(19(13,20)24)26-16(15)21/h6,11-12,14-15,23-24H,7-10H2,1-5H3/q+1/t12-,14+,15+,18+,19-,20-/m0/s1
0 references
InChIKey
LCOIDUGPENFNRP-DMYWNUKNSA-N
0 references
CAS Registry Number
30785-56-9
0 references
PubChem CID
169196
0 references
UniChem compound ID
43824541
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60952990
0 references
DSSTOX compound identifier
DTXCID701381056
0 references
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