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

Systemtic Name: 4a-ethyl-2-pyridin-3-yl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Openeye Name: 4a-ethyl-2-(3-pyridyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol CAS Name: 4a-ethyl-2-(3-pyridinyl)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol IUPAC Name: 4a-ethyl-2-pyridin-3-yl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3,7-triol Traditional Name: 4a-ethyl-2-(3-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=CN=CC=C4)O)O

Isomeric SMILES

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

InChI

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