19,21-Dinorchola-1,3,5(10)-Trien-17-Ol, 3-(Cyclopentyloxy)-, (17α)-

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Properties Simple | Detailed

Formula C27H40O2
IUPAC Name (8r,9s,13s,14s,17s)-17-butyl-3-(cyclopentoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 396.605 g·mol−1
Heat of Formation -552.6 ± 16.7 kJ·mol−1
Dipole Moment 2.27 ± 1.08 D
Volume 517.91 Å 3
Surface Area 433.88 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-butyl-3-(cyclopentoxy)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
  • (8r,9s,13s,14s,17s)-17-butyl-3-cyclopentyloxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
InChIKey RZJYCJNNICMHOJ-VKINHPFQSA-N
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