(3As,3Br,10Br,12S,12Ar)-6,12-Dihydroxy-2,2-Dimethyl-3B,4,10B,11,12,12A-Hexahydrobis[1,3]Dioxolo[4,5-C:4',5'-J]Phenanthridin-5(3Ah)-One

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Formula C17H19NO7
IUPAC Name (3as,3br,10br,12s,12ar)-6,12-dihydroxy-2,2-dimethyl-3b,4,10b,11,12,12a-hexahydrobis[1,3]dioxolo[4,5-c:4',5'-j]phenanthridin-5(3ah)-one
Molecular Mass 349.335 g·mol−1
Heat of Formation -1132.1 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 375.39 Å 3
Surface Area 320.43 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • bis(1,3)dioxolo(4,5-c:4',5'-j)phenanthridin-5(3ah)-one, 3b,4,10b,11,12,12a-hexahydro-6,12-dihydroxy-2,2-dimethyl-, (3as-(3aalpha,3bbeta,10balpha,12alpha,12aalpha))-
  • dihydronarciclasine
CAS Number(s)
  • 40042-08-8
InChIKey PWWBPUNUKQOTSZ-OSVMQOHBSA-N
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