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(8ξ,9ξ,14ξ,17β)-16-(¹⁸F)Fluoroestra-1,3,5(10)-triene-3,17-diol

ChemSpider ID: 397391
Molecular Formula: C₁₈H₂₃¹⁸FO₂
Average mass: 289.375 Da
Monoisotopic mass: 289.17099 Da
Systematic name

(8ξ,9ξ,14ξ,17β)-16-(¹⁸F)Fluoroestra-1,3,5(10)-triene-3,17-diol
SMILES and InChIs

SMILES:

CC12CCC3c4ccc(cc4CCC3C1CC(C2O)F)O Copied

Std. InChI:

InChI=1S/C18H23FO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13?,14?,15?,16?,17-,18-/m0/s1/i19-1 Copied

Std. InChIKey:

KDLLNMRYZGUVMA-VHFZMTBYSA-N Copied
Cite this record
CSID:397391, http://www.chemspider.com/Chemical-Structure.397391.html (accessed 11:56, May 24, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

MOLI001750 [DBID]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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