(13ξ,17β)-17-hydroxy-17-methylestra-4,9,11-trien-3-one

ChemSpider ID: 23285111
Molecular Formula: C19H24O2
Average mass: 284.3927 Da
Monoisotopic mass: 284.177643 Da
Systematic name

(8S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SMILES and InChIs

SMILES:

C[C@@]1(CC[C@@H]2C1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O Copied

Std. InChI:

InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18?,19+/m1/s1 Copied

Std. InChIKey:

CCCIJQPRIXGQOE-HFIAIYGTSA-N Copied
Cite this record
CSID:23285111, http://www.chemspider.com/Chemical-Structure.23285111.html (accessed 08:28, May 25, 2012) Copied

Names and Identifiers

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