17β-Hydroxyestra-5(10),9(11)-Dien-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24O2
IUPAC Name (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,4,6,7,8,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 272.382 g·mol−1
Heat of Formation -405.4 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 344.92 Å 3
Surface Area 289.65 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,17s)-17-hydroxy-13-methyl-2,4,6,7,8,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • estra-5(10),9(11)-dien-3-one, 17-hydroxy-, (17beta)-
InChIKey YQTRUFSEOHTFSE-OWSLCNJRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O