Petasinine

[(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate

Also Known As: Petasinine|(+)-Petasinine|ANGELOYLPETASINECINE|PETASINECINE ANGELATE|[(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate|(1S,2R,7AS)-1-(HYDROXYMETHYL)-HEXAHYDRO-1H-PYRROLIZIN-2-YL (2Z)-2-METHYLBUT-2-ENOATE|2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl ester, (2Z)-|(1S,2R,7aS)-Hexahydro-1-(hydroxymethyl)-1H-pyrrolizin-2-yl (2Z)-2-methyl-2-butenoate|(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester|(1S,2R,7aS)-1-(Hydroxymethyl)hexahydro-1H-pyrrolizin-2-yl (2Z)-2-methylbut-2-enoate|(Z)-2-Methyl-2-butenoic acid (1S,7aalpha)-hexahydro-1beta-hydroxymethyl-1H-pyrrolizine-2beta-yl ester|[(1R,2S,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate

Molecular Formula	C13H21NO3
Molecular Weight	239.15215 g/mol
LogP	0.9509
Topological Polar Surface Area	49.77 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	239.15215
Monoisotopic Mass	239.15215
Heavy Atoms	17
Complexity	326.62625

Chemical Identifiers

CAS Number	70474-33-8
SMILES	C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO