(3β,5β)-3-(Alpha-L-Arabinofuranosyloxy)-14-Hydroxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C28H42O8
IUPAC Name 3-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-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 506.628 g·mol−1
Heat of Formation -1589.7 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 604.68 Å 3
Surface Area 458.26 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-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]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-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]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4r,5s)-3,4-dihydroxy-5-methylol-tetrahydrofuran-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]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]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]-5h-furan-2-one
InChIKey VFQLNJQAASSPQR-IFOADAFFSA-N
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