{[16,17-Dihydroxyestra-1,3,5(10)-Trien-3-Yl]Oxy}Acetic Acid

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Properties Simple | Detailed

Formula C20H26O5
IUPAC Name 2-[[(8s,9s,13s,14r,16r,17r)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid
Molecular Mass 346.417 g·mol−1
Heat of Formation -938.3 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 409.6 Å 3
Surface Area 337.55 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
InChIKey SZBWYTRVLQFZGU-SCNSOLTMSA-N
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Elements H C O