19-Ethynyl-19-Hydroxyandrost-4-En-17-One

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (8r,9s,10s,13s,14s)-10-[(1s)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -221.3 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 392.22 Å 3
Surface Area 310.98 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10s,13s,14s)-10-[(1s)-1-hydroxyprop-2-ynyl]-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
  • 19-ehaeo
  • estr-4-en-17-one, 10-(1-hydroxy-2-propynyl)-, (10(s))-
CAS Number(s)
  • 135144-30-8
InChIKey PNYTVFWLOYBJNO-JPRZGNOKSA-N
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Elements H C O