(3R,4R,4aS,8aR)-4-{(E)-2-[(2S,6R)-1,6-dimethylpiperidin-2-yl]ethenyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one

ChemSpider ID: 23119832
Molecular Formula: C22H35NO2
Average mass: 345.518799 Da
Monoisotopic mass: 345.266785 Da
Systematic name

(3R,4R,4aS,8aR)-4-[(E)-2-[(2S,6R)-1,6-dimethyl-2-piperidyl]vinyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f]isobenzofuran-1-one
SMILES and InChIs

SMILES:

C[C@@H]1CCC[C@H](N1C)/C=C/[C@@H]2[C@H]3CCCC[C@@H]3CC4C2[C@H](OC4=O)C Copied

Std. InChI:

InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16-,17+,18+,19-,20?,21?/m1/s1 Copied

Std. InChIKey:

FMPNFDSPHNUFOS-BZZMXOTISA-N Copied
Cite this record
CSID:23119832, http://www.chemspider.com/Chemical-Structure.23119832.html (accessed 08:11, May 25, 2012) Copied

Names and Identifiers

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