(3β,5β,11Alpha)-3-[(6-Deoxy-Alpha-L-Mannopyranosyl)Oxy]-11,14-Dihydroxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C29H44O9
IUPAC Name 3-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-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 -1797.3 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 627.77 Å 3
Surface Area 465.57 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-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
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-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
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-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
  • 4-[(3s,5r,8r,9s,10s,11r,13r,14s,17r)-11,14-dihydroxy-10,13-dimethyl-3-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-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
  • rhodexin a
  • sarmentogenin 3-o-alpha-l-rhamnoside
CAS Number(s)
  • 545-49-3
InChIKey HFMLTKBZNAPPNY-CEKKCSHUSA-N
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