(8Xi,13Xi,14Xi,17Xi,22S,23R,24R)-22,23,24,25-Tetrahydroxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secocholest-5-En-1-Yl β-D-Allopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C36H62O10
IUPAC Name (3r,4r,5s,6s)-2-methyl-6-[(3s,8s,9s,10r,13r,14s,17r)-4,4,9,13,14-pentamethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]heptane-2,3,4,5-tetrol
Molecular Mass 654.871 g·mol−1
Heat of Formation 3757.9 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 692.79 Å 3
Surface Area 609.03 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -2.77 ± eV
Point Group Symmetry C1
InChIKey BQQVUJRUVFZIJJ-YIOJMVLRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O