(15α,17Beta)-15,17-Dihydroxyestra-1,3,5(10)-Trien-3-Yl Hydrogen Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H24O6S
IUPAC Name [(8r,9s,13s,14s,15s,17s)-15,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 368.445 g·mol−1
Heat of Formation -1098.2 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 411.44 Å 3
Surface Area 344.7 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 15alpha-hydroxyestradiol 3-sulfate
  • [(8r,9s,13s,14s,15s,17s)-15,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  • estra-1,3,5(10)-triene-3,15,17-triol, 3-(hydrogen sulfate), (15alpha,17beta)-
CAS Number(s)
  • 2524-23-4
InChIKey YEBMNKYRFUDMCA-GVLSGGHMSA-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