(17β)-2-[(1Z)-1-Buten-1-Yl]Estra-1,3,5(10)-Triene-3,17-Diol

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Properties Simple | Detailed

Formula C22H30O2
IUPAC Name (8r,9s,13s,14s,17s)-2-[(z)-but-1-enyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 326.472 g·mol−1
Heat of Formation -418.1 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 422.45 Å 3
Surface Area 352.59 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
InChIKey ANAMDWGJXBYJEB-OPWFCKQNSA-N
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