(+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-Epoxy-1,2,3,4-Tetrahydrobenzo(C)Phenanthrene

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Properties Simple | Detailed

Formula C18H14O3
IUPAC Name (+)-(1s,2r,3r,4s)-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Molecular Mass 278.302 g·mol−1
Heat of Formation -166.3 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 313.44 Å 3
Surface Area 274.67 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(1r,2s,3r,4s)-3,4-dihydorxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
  • (+)-anti-benzo(c)phenanthrene-3,4-diol-1,2-epoxide
  • (+)-benzo(c)phenanthrene-3,4-diol-1,2-epoxide (anti)
  • (-)-anti-benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide
  • (-)-benzo(c)phenanthrene-3,4-diol-1,2-epoxide-2
  • (1ar-(1aalpha,2beta,3alpha,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol
  • (1s,2r,3r,4s)-(+)-anti-benzo(c)phenanthrene-3,4-diol 1,2-epoxide
  • 3,4-dihydroxy-1,2-epoxybenzo(c)phenanthrene
  • benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1ar,2r,3s,11ds)-
  • benzo(c)phenanthrene-3,4-diol, 1,2,3,4-tetrahydro-1,2-epoxy-, (e)-(-)-(1r,2s,3s,4r)-
  • trans-1-beta,2-beta-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene-3-beta,4-alpha-diol
CAS Number(s)
  • 82510-57-4
InChIKey QGMAOLZIDYVIDK-XWTMOSNGSA-N
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