(17α)-21-Chloro-3-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yn-17-Ol

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Properties Simple | Detailed

Formula C21H25ClO2
IUPAC Name (8r,9s,13s,14s,17s)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 344.875 g·mol−1
Heat of Formation -151.3 ± 16.7 kJ·mol−1
Dipole Moment 0.43 ± 1.08 D
Volume 414.35 Å 3
Surface Area 348.37 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
CAS Number(s)
  • 974-76-5
InChIKey JABONLHKIKMUIS-CRSSMBPESA-N
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Elements H C O Cl