(17β)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl Cyclohexanecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H34O3
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] cyclohexanecarboxylate
Molecular Mass 382.536 g·mol−1
Heat of Formation -684.1 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 480.06 Å 3
Surface Area 383.35 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • cyclohexanecarboxylic 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
InChIKey IVRCALGRJCHPRV-BZDYCCQFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O