1-O-[(3α,23Z)-3-Acetoxy-24-Methyl-21-Oxolanosta-8,23,25-Trien-21-Yl]-Beta-D-Xylopyranose

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Properties Simple | Detailed

Formula C38H58O8
IUPAC Name [(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl] (2r,4z)-2-[(3r,5r,10s,13r,14r,17r)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhepta-4,6-dienoate
Molecular Mass 642.862 g·mol−1
Heat of Formation -1687.3 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 818.35 Å 3
Surface Area 573.08 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4z)-2-[(3r,5r,10s,13r,14r,17r)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5,6-dimethyl-hepta-4,6-dienoic acid [(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl] ester
  • (2r,4z)-2-[(3r,5r,10s,13r,14r,17r)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhepta-4,6-dienoic acid [(2s,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl] ester
  • [(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl] (2r,4z)-2-[(3r,5r,10s,13r,14r,17r)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5,6-dimethyl-hepta-4,6-dienoate
  • [(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl] (2r,4z)-2-[(3r,5r,10s,13r,14r,17r)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5,6-dimethyl-hepta-4,6-dienoate
InChIKey RJBCIJBIKBHZMX-MGAAYXLPSA-N
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