4a-ethyl-2-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol

Systemtic Name: 4a-ethyl-2-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Openeye Name: 4a-ethyl-2-(2-pyridyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol CAS Name: 4a-ethyl-2-(2-pyridinyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol IUPAC Name: 4a-ethyl-2-pyridin-2-yl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Traditional Name: 4a-ethyl-2-(2-pyridyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=CC=N4)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)O)(C4=CC=CC=N4)O)O

InChI

InChI=1S/C21H25NO3/c1-2-20-13-19(24)21(25,18-5-3-4-10-22-18)12-15(20)7-6-14-11-16(23)8-9-17(14)20/h3-5,8-11,15,19,23-25H,2,6-7,12-13H2,1H3