Symphytine

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Formula C20H31NO6
IUPAC Name [(4r,7r,8r)-7-[(e)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methyl-butanoate
Molecular Mass 381.463 g·mol−1
Heat of Formation -1117.6 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 480.76 Å 3
Surface Area 354.52 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 7-tiglyl-9-(-)-viridiflorylretronecine
InChIKey MVWPTZQHBOWRTF-SMLWLWDZSA-N
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