(11β,17Xi)-11-Methoxy-19-Norpregna-1(10),2,4-Trien-20-Yne-2,3,17-Triol

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Formula C21H26O4
IUPAC Name (8s,9s,11s,13s,14s,17s)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2,3,17-triol
Molecular Mass 342.429 g·mol−1
Heat of Formation -496.1 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 377.11 Å 3
Surface Area 295.04 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
InChIKey XXEKFEBZBPGIAP-CBPODPTPSA-N
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