Suberosol

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Formula C31H46O2
IUPAC Name (3s,5r,10s,13r,14r,15s,17r)-17-[(e,1r)-4-methanidyl-1-methyl-hept-4-en-6-ynyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
Molecular Mass 450.696 g·mol−1
Heat of Formation -584.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 619.76 Å 3
Surface Area 465.27 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r,10s,13r,14r,15s,17r)-17-[(1r)-1,5-dimethyl-4-methylene-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5r,10s,13r,14r,15s,17r)-17-[(1r)-1,5-dimethyl-4-methylenehexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5r,10s,13r,14r,15s,17r)-17-[(1r)-4-isopropyl-1-methyl-pent-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5r,10s,13r,14r,15s,17r)-4,4,10,13,14-pentamethyl-17-[(2r)-6-methyl-5-methylidene-heptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
  • (3s,5r,10s,13r,14r,15s,17r)-4,4,10,13,14-pentamethyl-17-[(2r)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,15-diol
InChIKey MJRURUDEESYVHI-UJZFCZBUSA-N
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