(3α,16α)-Eburnamenin-14-Ylmethyl 3,4,5-Trimethoxybenzoate

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Properties Simple | Detailed

Formula C30H34N2O5
IUPAC Name (3alpha,16alpha)-eburnamenin-14-ylmethyl 3,4,5-trimethoxybenzoate
Molecular Mass 502.601 g·mol−1
Heat of Formation -522.6 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 589.54 Å 3
Surface Area 451.56 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • 17,18-dehydroapovincaminol-3',4',5'-trimethoxybenzoate
  • eburnamenine-14-methanol, 3,4,5-trimethoxybenzoate (ester), (3alpha,16alpha)-
  • rgh 4417
  • rgh-4417
CAS Number(s)
  • 79720-73-3
InChIKey VYHPNRMBGSEPHR-DGPALRBDSA-N
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