(2α,3Beta)-3-[(4-Deoxy-3-O-Methyl-α-L-Erythro-Pentopyranosyl)Oxy]-2,14-Dihydroxy-12-Oxocarda-4,20(22)-Dienolide

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Properties Simple | Detailed

Formula C29H40O9
IUPAC Name 3-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[(2s,3s,4s)-3-hydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-furan-5-one
Molecular Mass 532.622 g·mol−1
Heat of Formation -1601.3 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 624.97 Å 3
Surface Area 478.05 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[(2s,3s,4s)-3-hydroxy-4-methoxy-oxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[(2s,3s,4s)-3-hydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[(2s,3s,4s)-3-hydroxy-4-methoxy-tetrahydropyran-2-yl]oxy-12-keto-10,13-dimethyl-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[(2s,3s,4s)-3-hydroxy-4-methoxyoxan-2-yl]oxy-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
  • 4-[(2r,3r,8r,9s,10r,13r,14s,17r)-2,14-dihydroxy-3-[[(2s,3s,4s)-3-hydroxy-4-methoxy-2-tetrahydropyranyl]oxy]-10,13-dimethyl-12-oxo-2,3,6,7,8,9,11,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5h-furan-2-one
InChIKey PESZVAPIHIOBQI-HDOPOQRKSA-N
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