(8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

ChemSpider ID: 23332829
Molecular Formula: C22H30O3
Average mass: 342.471802 Da
Monoisotopic mass: 342.219482 Da
Systematic name

(8R,9S,10R,13S,14S,17S)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
SMILES and InChIs

SMILES:

CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C Copied

Std. InChI:

InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22-/m1/s1 Copied

Std. InChIKey:

VXIMPSPISRVBPZ-KJYHQLEASA-N Copied
Cite this record
CSID:23332829, http://www.chemspider.com/Chemical-Structure.23332829.html (accessed 08:32, May 25, 2012) Copied

Names and Identifiers

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