19-(Ethyldisulfanyl)Androst-4-Ene-3,17-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C21H30O2S2
IUPAC Name (8s,9s,10s,13s,14s)-10-[(ethyldisulfanyl)methyl]-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 378.592 g·mol−1
Heat of Formation -430.4 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 466.46 Å 3
Surface Area 372.23 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10s,13s,14s)-10-(ethyldisulfanylmethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-dione
  • (8s,9s,10s,13s,14s)-10-(ethyldisulfanylmethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthrene-3,17-quinone
  • 19-(ethyldithio)androst-4-ene-3,17-dione
  • androst-4-ene-3,17-dione, 19-(ethyldithio)-
  • org 30958
  • org-30958
CAS Number(s)
  • 99957-90-1
InChIKey RCEOCOMZMSAAFR-OAGDOXAWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O