(11β,17β)-11-(Methoxymethyl)Estra-1(10),2,4-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C20H28O3
IUPAC Name (8s,9r,11s,13s,14s,17s)-11-(methoxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 316.435 g·mol−1
Heat of Formation -569.5 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 400.17 Å 3
Surface Area 326.27 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (11s,13s,17s)-11-(methoxymethyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol
  • (8s,9r,11s,13s,14s,17s)-11-(methoxymethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChIKey LEOPSILMAOYZBO-IUTAEKPZSA-N
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