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(8ξ,9ξ,10ξ,14ξ,16α)-17-[(¹⁸F)Fluoroacetyl]-16-methylestr-4-en-3-one

ChemSpider ID: 397399
Molecular Formula: C₂₁H₂₉¹⁸FO₂
Average mass: 331.454987 Da
Monoisotopic mass: 331.217987 Da
Systematic name

(8ξ,9ξ,10ξ,14ξ,16α)-17-[(¹⁸F)Fluoroacetyl]-16-methylestr-4-en-3-one
SMILES and InChIs

SMILES:

CC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CF)C Copied

Std. InChI:

InChI=1S/C21H29FO2/c1-12-9-18-17-5-3-13-10-14(23)4-6-15(13)16(17)7-8-21(18,2)20(12)19(24)11-22/h10,12,15-18,20H,3-9,11H2,1-2H3/t12-,15?,16?,17?,18?,20?,21+/m1/s1/i22-1 Copied

Std. InChIKey:

KGNJETDQGQBSEF-XNWMTVMQSA-N Copied
Cite this record
CSID:397399, http://www.chemspider.com/Chemical-Structure.397399.html (accessed 22:06, May 24, 2013) Copied

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

MOLI001758 [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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