(4R,9β)-2-Hydroxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secoandrosta-2,5-Diene-1,11,16-Trione

Molecule SVG Image

Properties Simple | Detailed

Formula C22H28O4
IUPAC Name (8s,9r,10r,13s,14s)-2-hydroxy-4,4,9,13,14-pentamethyl-7,8,10,12,15,17-hexahydrocyclopenta[a]phenanthrene-3,11,16-trione
Molecular Mass 356.455 g·mol−1
Heat of Formation -686.4 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 430.39 Å 3
Surface Area 326.69 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (
  • )
  • ,
  • -
  • 0
  • 1
  • 2
  • 3
  • 4
  • 5
  • 6
  • 7
  • 8
  • 9
  • [
  • ]
  • a
  • c
  • d
  • e
  • h
  • i
  • l
  • m
  • n
  • o
  • p
  • r
  • s
  • t
  • x
  • y
InChIKey ZNVJUUJXCJWXED-SGBJRMOLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O