(4α)-O~3~-[(2S)-2,5-Dihydroxy-2-(2-Methoxy-2-Oxoethyl)-5-Methylhexanoyl]Cephalotaxine

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Properties Simple | Detailed

Formula C28H37NO9
IUPAC Name (4alpha)-o 3 -[(2s)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
Molecular Mass 531.595 g·mol−1
Heat of Formation -1463.8 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 636.52 Å 3
Surface Area 487.18 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2'r-harringtonine
  • alkaloid c from cephalotaxus
  • cephalotaxine, 4-methyl (2r)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • cephalotaxine, 4-methyl (2r)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester) (9ci)
  • cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(r))-
  • cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(r))- (9ci)
  • cephalotaxus alkaloid
  • harringtonin
  • harringtonine (8ci)
InChIKey HAVJATCHLFRDHY-JZTSUELASA-N
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