4a-ethyl-3-methyl-2-pyridin-4-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

Systemtic Name: 4a-ethyl-3-methyl-2-pyridin-4-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Openeye Name: 4a-ethyl-3-methyl-2-(4-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol CAS Name: 4a-ethyl-3-methyl-2-pyridin-4-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol IUPAC Name: 4a-ethyl-3-methyl-2-pyridin-4-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Traditional Name: 4a-ethyl-3-methyl-2-(4-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=NC=C4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=NC=C4)O)(C)O

InChI

InChI=1S/C22H27NO3/c1-3-21-14-20(2,25)22(26,16-8-10-23-11-9-16)13-17(21)5-4-15-12-18(24)6-7-19(15)21/h6-12,17,24-26H,3-5,13-14H2,1-2H3