Ergosta-5,7,9(11),22-Tetraen-3B-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H42O
IUPAC Name (3s,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 394.632 g·mol−1
Heat of Formation -301.3 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 546.45 Å 3
Surface Area 429.38 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,10s,13r,14r,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-3-ol
  • dehydroergosterol
  • delta(5,7,9(11)22)-ergostatetraen-3-ol
  • ergosta-5,7,9(11),22-tetraen-3-ol, (3beta,22e)-
  • ergosta-5,7,9(11),22-tetraen-3beta-ol
CAS Number(s)
  • 118447-77-1
  • 1331-00-6
  • 516-85-8
InChIKey QSVJYFLQYMVBDR-CMNOFMQQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O