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(Q82916341)
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English
1-Acetylcur-19-en-17-yl acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
akuammicine alkaloid
1 reference
inferred from
akuammicine alkaloid
strychnidine alkaloid
1 reference
inferred from
strychnidine alkaloid
mass
380.2099927559999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₂₈N₂O₃
0 references
canonical SMILES
O=C(OCC1C2C(=CC)CN3CCC4(C=5C=CC=CC5N(C(=O)C)C14)C3C2)C
0 references
isomeric SMILES
CC=C1CN2CCC34c5ccccc5N(C(C)=O)[C@H]3[C@@H](COC(C)=O)[C@H]1C[C@H]24
0 references
found in taxon
Strychnos pungens
2 references
stated in
Alkaloids from Strychnos pungens
stated in
THE STRYCHNOS ALKALOIDS
Strychnos kasengaensis
1 reference
stated in
Dehydroisostrychnobiline, matopensine and other alkaloids from Strychnos kasengaensis
Identifiers
InChI
InChI=1S/C23H28N2O3/c1-4-16-12-24-10-9-23-19-7-5-6-8-20(19)25(14(2)26)22(23)18(13-28-15(3)27)17(16)11-21(23)24/h4-8,17-18,21-22H,9-13H2,1-3H3/t17-,18-,21-,22-,23?/m0/s1
0 references
InChIKey
PTRWORWVJKGZCI-IDASFKSMSA-N
0 references
CAS Registry Number
18397-05-2
0 references
PubChem CID
176986
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60202572
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90939779
0 references
DSSTOX compound identifier
DTXCID901368268
0 references
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