Indicine

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Properties Simple | Detailed

Formula C15H25NO5
IUPAC Name [(4r,7r,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methyl-butanoate
Molecular Mass 299.363 g·mol−1
Heat of Formation -968.8 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 366.09 Å 3
Surface Area 292.47 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-indicine
  • (2r)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butyric acid [(7r,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • (2r)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoic acid [(7r,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl ester
  • 2,3-dihydroxy-2-(1-methylethyl)-butanoic acid (2,3,5,7a-tetrahydro-1-hydroxy-1h-pyrrolizin-7-yl) methyl ester
  • [(1r,7ar)-1-hydroxy-2,3,5,7a-tetrahydro-1h-pyrrolizin-7-yl]methyl (2r,3s)-2,3-dihydroxy-2-isopropylbutanoate
  • [(7r,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-hydroxy-2-(1-hydroxyethyl)-3-methyl-butanoate
  • [(7r,8r)-7-hydroxy-5,6,7,8-tetrahydro-3h-pyrrolizin-1-yl]methyl (2r)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
  • butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1h-pyrrolizin-7-yl)methyl ester, (1r-(1a,7(2r*,3s*),7a-beta))-
  • butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1r,7ar)-2,3,5,7a-tetrahydro-1-hydroxy-1h-pyrrolizin-7-yl]methyl ester, (2r,3s)-
  • retronecine, 7-[(2r,3s)-2,3-dihydroxy-2-isopropylbutyrate]
CAS Number(s)
  • 480-82-0
InChIKey SFVVQRJOGUKCEG-XTWPYSKKSA-N
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