(8Xi,9Xi,14Xi)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl 3-Cyclopentylpropanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H36O3
IUPAC Name [(8s,9s,13s,14r,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate
Molecular Mass 396.562 g·mol−1
Heat of Formation -722.2 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 512.78 Å 3
Surface Area 387.92 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
InChIKey UOACKFBJUYNSLK-OXCVBPRPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O