Estradiol Decanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C28H42O3
IUPAC Name [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate
Molecular Mass 426.631 g·mol−1
Heat of Formation -809.0 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 570.83 Å 3
Surface Area 413.55 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
Synonyms
  • 17beta-oestradiol decanoate
  • [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] decanoate
  • capric acid [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • decanoic acid [(8r,9s,13s,14s,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-decanoate
  • estradiol-17beta-decanoate
CAS Number(s)
  • 61748-93-4
InChIKey YYFQNZXJGOTFRX-VMBLQBCYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O