(17α)-3-Methoxy-19-Norpregna-1,3,5(10)-Trien-20-Yne-2,17-Diol

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (8r,9s,13s,14s,17r)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2,17-diol
Molecular Mass 326.429 g·mol−1
Heat of Formation -308.0 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 393.5 Å 3
Surface Area 323.02 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey SKJZENPUQVKMJH-PVHGPHFFSA-N
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