3B-(B-D-Glucopyranosyloxy)-14,23-Dihydroxy-24-Nor-5B,14B-Chol-20(22)-En-21-Oic Acid G-Lactone

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Properties Simple | Detailed

Formula C29H44O9
IUPAC Name 4-[(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-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 536.654 g·mol−1
Heat of Formation -1773.1 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 638.23 Å 3
Surface Area 478.05 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 3-[(3s,5r,8r,9s,10s,13r,14s,17s)-14-hydroxy-10,13-dimethyl-3-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • d02763
InChIKey ACLJAFRNPZVVIW-ADFGDECNSA-N
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