(3β,20S,22E)-Ergosta-5,7,22-Trien-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H44O
IUPAC Name (3s,9s,10r,13r,14r,17r)-10,13-dimethyl-17-[(e,1s,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 396.648 g·mol−1
Heat of Formation -372.2 ± 16.7 kJ·mol−1
Dipole Moment 1.68 ± 1.08 D
Volume 549.61 Å 3
Surface Area 416.07 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
InChIKey DNVPQKQSNYMLRS-PFQWWJQESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O