(3β,5β)-3-[(6-Deoxy-Alpha-L-Galactopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxobufa-20,22-Dienolide

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Properties Simple | Detailed

Formula C30H42O10
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2r,3s,4r,5s,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]phenanthrene-10-carbaldehyde
Molecular Mass 562.648 g·mol−1
Heat of Formation -1837.2 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 653.19 Å 3
Surface Area 482.33 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-3-[[(2r,3s,4r,5s,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]phenanthrene-10-carboxaldehyde
  • (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2r,3s,4r,5s,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]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2r,3s,4r,5s,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]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2r,3s,4r,5s,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]phenanthrene-10-carbaldehyde
  • (3s,5s,8r,9s,10s,13r,14s,17r)-5,14-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-3-[(2r,3s,4r,5s,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]phenanthrene-10-carbaldehyde
InChIKey HNNFRQFXBWSJBX-LJTARLIBSA-N
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