2-Ethyl-17-Oxoestra-1(10),2,4-Trien-3-Yl Sulfamate

Molecule SVG Image

Properties Simple | Detailed

Formula C20H27NO4S
IUPAC Name [(8r,9s,13s,14s)-2-ethyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 377.498 g·mol−1
Heat of Formation -731.7 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 443.42 Å 3
Surface Area 364.98 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s)-2-ethyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
  • sulfamic acid [(8r,9s,13s,14s)-2-ethyl-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
  • sulfamic acid [(8r,9s,13s,14s)-2-ethyl-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
InChIKey GTMOGHHWTKSVCD-MQJTVSLUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N