(3β,5β,8Alpha)-3-[(2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxocard-20(22)-Enolide

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Formula C30H44O9
IUPAC Name (3s,5s,8s,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Mass 548.665 g·mol−1
Heat of Formation -1715.2 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 647.59 Å 3
Surface Area 493.78 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5beta,8alpha)-3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • (3s,5s,8s,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8s,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8s,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-17-(5-keto-2h-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carbaldehyde
  • (3s,5s,8s,9s,10s,13r,14s,17r)-5,14-dihydroxy-3-[[(2r,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-13-methyl-17-(5-oxo-2h-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-10-carboxaldehyde
  • card-20(22)-enolide, 3-((2,6-dideoxy-3-o-methyl-.beta.-d-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
InChIKey XQCGNURMLWFQJR-JHVHLWGGSA-N
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