(14β)-Dammarane

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Formula C30H54
IUPAC Name (5s,8r,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
Molecular Mass 414.750 g·mol−1
Heat of Formation -460.0 ± 16.7 kJ·mol−1
Dipole Moment 0.09 ± 1.08 D
Volume 593.94 Å 3
Surface Area 446.59 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 3.63 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,8r,9r,10s,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • (5s,8r,9r,10s,13r,14s,17r)-4,4,8,10,14-pentamethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthrene
  • dammarane
CAS Number(s)
  • 545-22-2
InChIKey OORMXZNMRWBSTK-XYCZMWNLSA-N
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