(11β,17Alpha,20E)-21-(~125~I)Iodo-3,11-Dimethoxy-19-Norpregna-1,3,5(10),20-Tetraen-17-Ol

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Properties Simple | Detailed

Formula C22H29IO3
IUPAC Name (8s,9s,11s,13s,14s,17r)-17-[(e)-2-iodovinyl]-3,11-dimethoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-ol
Molecular Mass 468.368 g·mol−1
Heat of Formation -417.4 ± 16.7 kJ·mol−1
Dipole Moment 0.49 ± 1.08 D
Volume 475.31 Å 3
Surface Area 384.17 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 17-iodovinyl-11-methoxyestradiol-3-methyl ether
  • 17alpha-(125i)iodovinyl-11beta-methoxyestradiol-3-methyl ether
  • 19-norpregna-1,3,5(10),20-tetraen-17-ol, 21-(iodo-125i)-3,11-dimethoxy-, (11beta,17alpha,20e)-
  • ivmeme
CAS Number(s)
  • 94887-70-4
InChIKey YGKQQLWWBUHSTB-JFSGRKSCSA-N
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