(1R,7Ar)-7-({[(2S,3S)-2,3-Dihydroxy-2-Isopropylbutanoyl]Oxy}Methyl)-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-1-Yl (2Z)-2-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C20H31NO6
IUPAC Name [(4r,7r,8r)-7-[(z)-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 -1111.8 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 473.68 Å 3
Surface Area 360.3 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(7r,8r)-7-[(z)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • (z)-2-methylbut-2-enoic acid [(1r,8r)-7-[[(2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoyl]oxymethyl]-2,3,5,8-tetrahydro-1h-pyrrolizin-1-yl] ester
  • 2-butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl ester, (1r-(1alpha(z),7(2s*,3s*),7abeta))-
  • 7-angelyl-9-(-)-viridiflorylretronecine
  • [(7r,8r)-7-[(z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
  • [(7r,8r)-7-[(z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
  • symlandine
CAS Number(s)
  • 74410-74-5
InChIKey MVWPTZQHBOWRTF-QKJMJVMDSA-N
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