(17B)-3-(Cyclopentyloxy)-17-Ethynylestra-3,5-Dien-17-Ol

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Properties Simple | Detailed

Formula C25H34O2
IUPAC Name (8r,9s,10r,13s,14s,17r)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 366.536 g·mol−1
Heat of Formation -209.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 463.76 Å 3
Surface Area 373.77 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-ol
  • (8r,9s,10r,13s,14s,17r)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-ol
InChIKey PCJFRMOEZQQSAX-AIOSZGMZSA-N
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