(3β,5β)-3-[(2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl)Oxy]-14,19-Dihydroxycard-20(22)-Enolide

Molecule SVG Image

Properties Simple | Detailed

Formula C30H46O8
IUPAC Name 3-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10-(hydroxymethyl)-13-methyl-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 534.681 g·mol−1
Heat of Formation -1581.1 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 641.4 Å 3
Surface Area 493.62 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-10-methylol-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10r,13r,14s,17r)-14-hydroxy-3-[[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
InChIKey FXZKDRVSINFUOY-GNFMRZGLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O