(2S,3R,4S,4Ar,11Br)-2,3,4-Trihydroxy-1,3,4,4A,5,11B-Hexahydro[1,3]Dioxolo[4,5-J]Phenanthridin-6(2H)-One

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Formula C14H15NO6
IUPAC Name (2s,3r,4s,4ar,11br)-2,3,4-trihydroxy-2,3,4,4a,5,11b-hexahydro-1h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Molecular Mass 293.272 g·mol−1
Heat of Formation -915.9 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 311.1 Å 3
Surface Area 272.49 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 7-deoxy-trans-dihydronarciclasine
  • [1,3]dioxolo[4,5-j]phenanthridin-6(2h)-one, 1,3,4,4a,5,11b-hexahydro-2,3,4-trihydroxy-, (2s,3r,4s,4ar,11br)-
InChIKey KKAHUDOWKGIGAA-IAWGOJCDSA-N
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