(3β,5β,14Xi)-3-[(4-Amino-4,6-Dideoxy-β-D-Glucopyranosyl)Oxy]-14-Hydroxycard-20(22)-Enolide

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Formula C29H45NO7
IUPAC Name 3-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4s,5r,6r)-5-amino-3,4-dihydroxy-6-methyl-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 519.670 g·mol−1
Heat of Formation -1418.7 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 629.44 Å 3
Surface Area 476.27 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,3r,4s,5r,6r)-5-amino-3,4-dihydroxy-6-methyl-oxan-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,4s,5r,6r)-5-amino-3,4-dihydroxy-6-methyl-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]-5h-furan-2-one
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[[(2r,3r,4s,5r,6r)-5-amino-3,4-dihydroxy-6-methyl-2-tetrahydropyranyl]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 IDPDVBWYOPBDLZ-BEVFCYNPSA-N
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