O~3~-[(2R)-2-Hydroxy-2-(2-Methoxy-2-Oxoethyl)-5-Methylhexanoyl]Cephalotaxine

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Properties Simple | Detailed

Formula C28H37NO8
IUPAC Name o 3 -[(2r)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
Molecular Mass 515.595 g·mol−1
Heat of Formation -1273.9 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 611.53 Å 3
Surface Area 455.55 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • cephalotaxine, 4-methyl 2-hydroxy-2-(3-methylbutyl)butanedioate (ester), [3(r)]-
  • cephalotaxine, 4-methyl-2-hydroxy-2-(3-methylbutyl)butanedioate (ester), [3(r)]-
CAS Number(s)
  • 36804-95-2
InChIKey WRCBXHDQHPUVHW-QKBZBAIHSA-N
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