Estra-1(10),4-Diene-2,3,17-Trione

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20O3
IUPAC Name (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2,3,17-trione
Molecular Mass 284.350 g·mol−1
Heat of Formation -392.4 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 345.31 Å 3
Surface Area 290.4 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2,3,17-trione
  • 2,3-eq
  • 2,3-estrogen o-quinone
  • 2,3-estrone o-quinone
  • 2,3-estrone ortho-quinone
  • estrone-2,3-quinone
CAS Number(s)
  • 40551-33-5
InChIKey WFPLOQDPWXNOST-JPVZDGGYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O