[(1S,7R,7Ar)-7-{[(2E)-2-Methyl-2-Butenoyl]Oxy}Hexahydro-1H-Pyrrolizin-1-Yl]Methyl (2Z)-2-(Hydroxymethyl)-2-Butenoate

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Properties Simple | Detailed

Formula C18H27NO5
IUPAC Name [(1s,4s,7r,8r)-7-[(e)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl (z)-2-(hydroxymethyl)but-2-enoate
Molecular Mass 337.411 g·mol−1
Heat of Formation -896.5 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 425.33 Å 3
Surface Area 332.74 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-(hydroxymethyl)but-2-enoic acid [(1s,7r,8r)-7-[(e)-2-methyl-1-oxobut-2-enoxy]-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl ester
  • (z)-2-methylolbut-2-enoic acid [(1s,7r,8r)-7-[(e)-2-methylbut-2-enoyl]oxypyrrolizidin-1-yl]methyl ester
  • 2-butenoic acid, 2-(hydroxymethyl)-, (hexahydro-7-((2-methyl-1-oxo-2-butenyl)oxy)-1h-pyrrolizin-1-yl)methyl ester, (1s-(1-alpha(z),7-alpha(z)-7a-beta))-
  • [(1s,7r,8r)-7-[(e)-2-methylbut-2-enoyl]oxy-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-yl]methyl (z)-2-(hydroxymethyl)but-2-enoate
  • sarracin
InChIKey YMUQRQKYYOWGPN-MBQDPZAHSA-N
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