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

Molecule SVG Image

Properties Simple | Detailed

Formula C18H23NO4S
IUPAC Name [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
Molecular Mass 349.445 g·mol−1
Heat of Formation -678.2 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 398.98 Å 3
Surface Area 338.78 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-((aminosulfonyl)oxy)estra-1,3,5(10)-trien-17-one
  • [(8r,9s,13s,14s)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] sulfamate
  • emate compound
  • estra-1,3,5(10)-trien-17-one, 3-((aminosulfonyl)oxy)-
  • estra-1,3,5(10)-trien-17-one-3-sulfamate
  • estrone-3-o-sulfamate
  • oestrone-3-o-sulphamate
  • sulfamic acid [(8r,9s,13s,14s)-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)-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] ester
CAS Number(s)
  • 148672-09-7
InChIKey RVKFQAJIXCZXQY-CBZIJGRNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N