[(1R,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,7r,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 -963.3 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 373.35 Å 3
Surface Area 305.78 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.11 ± eV
Point Group Symmetry C1
Synonyms
  • ( )-intermedine
  • 9-(+)-trachelanthylretronecine
  • beta-msh
  • butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((1r,7ar)-2,3,5,7a-tetrahydro-1-hydroxy-1h-pyrrolizin-7-yl)methyl ester, (2s,3r)-
  • butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1h-pyrrolizin-7-yl)methyl ester, (1r-(1alpha,7(2s*,3r*),7abeta))-
  • intermedine
CAS Number(s)
  • 1414-01-3
  • 10285-06-0
InChIKey SFVVQRJOGUKCEG-OPQSFPLASA-N
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