Dendronesterol B

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Formula C29H50O6
IUPAC Name [(3s,5r,6r,8r,9s,10r,13s,14s,15r,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5,6,15-tetrahydroxy-10-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
Molecular Mass 494.704 g·mol−1
Heat of Formation -1513.1 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 633.93 Å 3
Surface Area 482.97 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,5r,6r,8r,9s,10r,13s,14s,15r,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5,6,15-tetrahydroxy-10-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
  • [(3s,5r,6r,8r,9s,10r,13s,14s,15r,17r)-3,5,6,15-tetrahydroxy-10-methyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl ethanoate
  • acetic acid [(3s,5r,6r,8r,9s,10r,13s,14s,15r,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5,6,15-tetrahydroxy-10-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-13-yl]methyl ester
InChIKey JHOOMRTVCYMNBF-HMPQKCPASA-N
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