Obliquine

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Properties Simple | Detailed

Formula C26H28N2O5
IUPAC Name obliquine
Molecular Mass 448.511 g·mol−1
Heat of Formation -520.2 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 523.24 Å 3
Surface Area 430.76 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3s,4as,11s,10bs-3,4,4a,13,11,5,6-heptahydro-5[2-(4-hydroxyphenyl)ethyl]-3-methoxy-13-methyl-[1,3-dioxolo[4,5-g]indolo[3,3a-c]]-isoquinolin-12-one
  • rel-(3r,4ar,6ar,13br)-7-[2-(4-hydroxyphenyl)ethyl]-3-methoxy-5-methyl-3,4,4a,5,7,8-hexahydro[1,3]dioxolo[4,5-g]indolo[3,3a-c]isoquinolin-6(6ah)-one
InChIKey MNZZTIOCKJEHEP-XVZHEKKHSA-N
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