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

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Properties Simple | Detailed

Formula C29H44O10
IUPAC Name 4-[(3s,5s,8r,9s,10r,11r,13r,14s,17r)-5,11,14-trihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
Molecular Mass 552.654 g·mol−1
Heat of Formation -2009.9 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 641.48 Å 3
Surface Area 477.39 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3beta-(6-deoxy-alpha-l-mannopyranosyloxy)-5,11alpha,14-trihydroxy-5beta-card-20(22)-enolide
  • 4-[(3s,5s,8r,9s,10r,11r,13r,14s,17r)-5,11,14-trihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5s,8r,9s,10r,11r,13r,14s,17r)-5,11,14-trihydroxy-10,13-dimethyl-3-[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(3s,5s,8r,9s,10r,11r,13r,14s,17r)-5,11,14-trihydroxy-10,13-dimethyl-3-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • bipindogenin 3-o-alpha-l-rhamnoside
  • lokundjoside
CAS Number(s)
  • 6869-51-8
InChIKey WRORFDCUNLGVJF-WGLBOFLQSA-N
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