(1S,4S,7S,9β,23R)-7-Methoxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secocholesta-5,24-Diene-1,23-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C31H52O3
IUPAC Name (3s,7s,8r,9s,10s,13r,14s,17r)-17-[(1r,3r)-3-hydroxy-1,5-dimethyl-hex-4-enyl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 472.743 g·mol−1
Heat of Formation -816.0 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 636.27 Å 3
Surface Area 470.67 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
InChIKey MTYMFIWYWSHNSU-NLUPGCNDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O