(1As,2S,3R,11Dr)-1A,2,3,11D-Tetrahydrobenzo[5,6]Phenanthro[3,4-B]Oxirene-2,3-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H14O3
IUPAC Name (1as,2s,3r,11dr)-1a,2,3,11d-tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol
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 312.79 Å 3
Surface Area 273.88 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-anti-benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide
  • (+)-benzo(c)phenanthrene-3,4-diol-1,2-epoxide-2
  • (-)-anti-benzo(c)phenanthrene 3,4-dihydrodiol-1,2-epoxide
  • (-)-benzo(c)phenanthrene-3,4-diol-1,2-epoxide (anti)
  • (1as-(1aalpha,2beta,3alpha,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol
  • anti-3,4-dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
  • anti-benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide
  • anti-benzo(c)phenanthrene-3,4-diol-1,2-oxide
  • benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1a-alpha,2-beta,3-alpha,11d-alpha)-(+-)-
  • benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aalpha,2beta,3alpha,11dalpha)-
  • benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1as,2s,3r,11dr)-
  • benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1as-(1a-alpha,2-beta,3-alpha,11d-alpha))-
  • benzo(5,6)phenanthro(3,4-b)oxirene-5,6-diol, 5,6,6a,7a-tetrahydro-, (5r,6s,6as,7ar)-rel-
  • benzo(c)phenanthrene 3,4-diol-1,2-epoxide-2
  • r-4,t-3-dihydroxy-c-1,2-oxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
  • trans-1-alpha,2-alpha-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene-3-alpha,4-beta-diol
CAS Number(s)
  • 75443-72-0
  • 76024-60-7
  • 82373-05-5
  • 82510-58-5
InChIKey QGMAOLZIDYVIDK-XDNAFOTISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O