Panaxatriol

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Formula C30H52O4
IUPAC Name (3s,5r,6r,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
Molecular Mass 476.731 g·mol−1
Heat of Formation -1132.3 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 611.99 Å 3
Surface Area 435.02 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,6alpha,12beta,20r)-20,25-epoxydammarane-3,6,12-triol
  • (3s,5r,6r,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyl-2-tetrahydropyranyl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
  • (3s,5r,6r,8r,9r,10r,12r,13r,14r,17s)-4,4,8,10,14-pentamethyl-17-[(2r)-2,6,6-trimethyltetrahydropyran-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol
  • dammarane-3,6,12-triol, 20,25-epoxy-, (3.beta.,6.beta.,12.beta.,20r)-
CAS Number(s)
  • 32791-84-7
InChIKey QFJUYMMIBFBOJY-UXZRXANASA-N
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