(3β)-Cholest-5-En-3-Yl 2-(4-Isobutylphenyl)Propanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C40H62O2
IUPAC Name [(3s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] (2s)-2-(4-isobutylphenyl)propanoate
Molecular Mass 574.919 g·mol−1
Heat of Formation -726.1 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 795.28 Å 3
Surface Area 632.89 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
InChIKey AHZNTDCNXYKGOX-SMFCPZRUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O