N-N-Butyl-N-Methyl-11-[3,17β-Dihydroxyestra-1,3,5(10)-Trien-7Alpha-Yl]Undecanamide

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Properties Simple | Detailed

Formula C34H47NO3
IUPAC Name n-buta-1,3-diynyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-n-methyl-undecanamide
Molecular Mass 517.742 g·mol−1
Heat of Formation -877.6 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 714.56 Å 3
Surface Area 608.38 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 3.25 ± eV
Point Group Symmetry C1
Synonyms
  • ici 164,384
  • ici m164384
  • n-butyl-11-[(7alpha,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-7-yl]-n-methylundecanamide
  • n-butyl-11-[(7r,8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-n-methylundecanamide
  • n-n-butyl-n-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide
CAS Number(s)
  • 98007-99-9
InChIKey BVVFOLSZMQVDKV-KXQIQQEYSA-N
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