(3β,23Z)-Ergosta-5,23-Dien-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C28H46O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(z,1r)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 398.664 g·mol−1
Heat of Formation -464.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 562.17 Å 3
Surface Area 425.03 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(z,1r)-1,4,5-trimethylhex-3-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(z,2r)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 24-mdhc
  • 24-methyl-23-dehydrocholesterol
CAS Number(s)
  • 72962-53-9
InChIKey CRJHBQFJDHZHGO-MYIDOQBCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O