2,3,4-Trihydroxyestra-1,3,5(10)-Trien-17-One

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Formula C18H22O4
IUPAC Name (8r,9s,13r,14s)-2,3,4-trihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 302.365 g·mol−1
Heat of Formation -723.6 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 357.67 Å 3
Surface Area 300.23 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 3.12 ± eV
Point Group Symmetry C1
InChIKey JHMKRVZOGMNBGV-UVIANQDRSA-N
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Elements H C O