(3β,5Alpha,14Xi)-3-{[2-O-(2,6-Dideoxy-D-Arabino-Hexopyranosyl)-β-D-Glucopyranosyl]Oxy}-14-Hydroxycard-20(22)-Enolide

Molecule SVG Image

Properties Simple | Detailed

Formula C35H54O12
IUPAC Name 3-[(3s,5s,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4s,5s,6r)-3-[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 666.796 g·mol−1
Heat of Formation -2383.6 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 792.05 Å 3
Surface Area 576.72 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey DZIKSWKAPREDIH-GZFBOJNASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O