(3β,12β,20R)-20,25-Epoxydammarane-3,12-Diol

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Formula C30H52O3
IUPAC Name (3s,5r,8r,9r,10r,12r,13r,14r,17s)-17-[(2r)-6-ethynyl-2-methyl-tetrahydropyran-6-id-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene-3,12-diol
Molecular Mass 460.732 g·mol−1
Heat of Formation -972.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 602.71 Å 3
Surface Area 431.23 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,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-3,12-diol
  • (3s,5r,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-3,12-diol
  • (3s,5r,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-3,12-diol
CAS Number(s)
  • 19666-76-3
InChIKey PVLHOJXLNBFHDX-XHJPDDKBSA-N
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