(17α)-2-Methoxy-19-Norpregna-1(10),2,4-Trien-20-Yne-3,17-Diol

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (8r,9s,13s,14s,17r)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 326.429 g·mol−1
Heat of Formation -316.9 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 384.87 Å 3
Surface Area 312.77 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17r)-17-ethynyl-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, 2-methoxy-, (17alpha)-
  • 2-methoxyethinyl estradiol
CAS Number(s)
  • 22415-44-7
  • 26011-46-1
InChIKey NRGDXTWZJCEVEB-PVHGPHFFSA-N
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