[(1S,7Ar)-1-Hydroxy-2,3,5,7A-Tetrahydro-1H-Pyrrolizin-7-Yl]Methyl (2S,3R)-2,3-Dihydroxy-2-Isopropylbutanoate

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Properties Simple | Detailed

Formula C15H25NO5
IUPAC Name [(4r,7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-[(1r)-1-hydroxyethyl]-3-methyl-butanoate
Molecular Mass 299.363 g·mol−1
Heat of Formation -959.5 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 367.19 Å 3
Surface Area 297.87 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • 9-(+)-trachelanthylheliotridine
  • [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
  • [(7s,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2s)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
  • rinderine
CAS Number(s)
  • 6029-84-1
InChIKey SFVVQRJOGUKCEG-ZRQNBYAXSA-N
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