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(Q105135577)
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English
[(1S,7S,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
[(1R,7S)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
239.152143532
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
7-Angeloylplatynecine
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,7R,8R)-7-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₁NO₃
0 references
canonical SMILES
O=C(OC1CCN2CCC(CO)C21)C(=CC)C
0 references
isomeric SMILES
C/C=C(/C)C(=O)O[C@H]1CCN2CC[C@H](CO)[C@H]12
0 references
found in taxon
Pittocaulon praecox
2 references
stated in
Frequent gain and loss of pyrrolizidine alkaloids in the evolution of Senecio section Jacobaea (Asteraceae).
stated in
Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases
Pittocaulon velatum
1 reference
stated in
Pyrrolizidine alkaloids of the endemic Mexican genus Pittocaulon and assignment of stereoisomeric 1,2-saturated necine bases
Identifiers
InChI
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12-/m1/s1
0 references
InChIKey
JVBOUYIVPAHNGB-UBVZEVQESA-N
0 references
PubChem CID
163018042
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JVBOUYIVPAHNGB-UBVZEVQESA-N
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