3β-((2,6-Dideoxy-4-O-(2,6-Dideoxy-β-D -Ribo-Hexopyranosyl)-β-D -Ribo-Hexopyranosyl)Oxy)-14-Hydroxy-5β-Card-20(22)-Enolide

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Properties Simple | Detailed

Formula C35H40O10
IUPAC Name 2-[[2-[[(3s,5r,8r,9s,10s,13r,14s,17r)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,4-dihydrofuran-4-id-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-6-methyl-4-oxo-3h-pyran-3-id-5-yl]oxy]-6-methylene-3h-pyran-3-ide-4,5-dione
Molecular Mass 620.686 g·mol−1
Heat of Formation -2030.8 ± 16.7 kJ·mol−1
Dipole Moment 11.71 ± 1.08 D
Volume 763.32 Å 3
Surface Area 571.97 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-[(2r,4s,5s,6r)-5-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-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,4s,5s,6r)-5-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-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,4s,5s,6r)-5-[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-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,4s,5s,6r)-5-[[(2s,4s,5s,6r)-4,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-4-hydroxy-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 CERUVRSAHAFOLZ-IQVVVBTISA-N
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