(3β,5β,6β,8Alpha,9β,10Alpha,12Alpha,17Alpha)-20,25-Epoxydammarane-3,6,12-Triol

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Properties Simple | Detailed

Formula C30H52O4
IUPAC Name (3s,5s,6r,8s,9s,10s,12s,13r,14r,17r)-17-[(2s)-6-ethynyl-2-methyl-3,4-dihydropyran-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-3,6,12-triol
Molecular Mass 476.731 g·mol−1
Heat of Formation -1033.0 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 608.27 Å 3
Surface Area 429.72 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,6r,8s,9s,10s,12s,13r,14r,17r)-4,4,8,10,14-pentamethyl-17-[(2s)-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,5s,6r,8s,9s,10s,12s,13r,14r,17r)-4,4,8,10,14-pentamethyl-17-[(2s)-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
  • (3s,5s,6r,8s,9s,10s,12s,13r,14r,17r)-4,4,8,10,14-pentamethyl-17-[(2s)-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
  • 4,4,8,10,14-pentamethyl-17-(2,6,6-trimethyltetrahydro-2h-pyran-2-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,12-triol (non-preferred name)
  • 6h-indolo[3,2,1-de][1,5]naphthyridin-6-one, 4,5-dimethoxy-
InChIKey QFJUYMMIBFBOJY-QYFRLGERSA-N
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