(17Xi)-3-Methoxy-19-Norpregna-1(10),2,4-Trien-20-Yne-2,17-Diol

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Properties Simple | Detailed

Formula C21H26O3
IUPAC Name (8r,9s,13s,14s,17s)-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 -321.8 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 382.43 Å 3
Surface Area 309.43 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
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InChIKey SKJZENPUQVKMJH-ALBMSPKDSA-N
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