2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-
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2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-
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CAS No:
87392-67-4
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Formula:
C18H25NO5
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Chemical Name:
2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-
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Synonyms:
Neotriangularine;[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate
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CAS No:
2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7ar)-2,3,5,7A-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)- Basic Attributes
335.3948
335.173
Computed Properties
Molecular Weight:335.4
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:335.17327290
Monoisotopic Mass:335.17327290
Topological Polar Surface Area:76.1
Heavy Atom Count:24
Complexity:590
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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