5α-Ergostane-3Beta,15α-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H50O2
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,15s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
Molecular Mass 418.695 g·mol−1
Heat of Formation -806.5 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 577.49 Å 3
Surface Area 441.63 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,14s,15s,17r)-10,13-dimethyl-17-[(1r,4s)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5s,8r,9s,10s,13r,14s,15s,17r)-17-[(2r,5s)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • 5alpha,14beta-ergostane-3beta,15beta-diol
  • ergostane-3,15-diol
  • ergostane-3,15-diol, (3beta,5alpha,15alpha)-
CAS Number(s)
  • 126291-46-1
InChIKey VMNBOLDGMBVGNQ-NAZNOAFGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O