5.α.-Ergosta-7,22-Dien-3.Beta.-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H46O
IUPAC Name (3s,5s,9r,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -449.8 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 558.61 Å 3
Surface Area 434.49 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10s,13r,14r,17r)-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,9r,10s,13r,14r,17r)-17-[(e,2r,5r)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • ergosta-7,22e-dien-3beta-ol
  • lmst01030094
InChIKey QOXPZVASXWSKKU-UEIWAABPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O