4a-ethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-[(2-methyl-3-pyridyl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-7-[(2-methyl-3-pyridinyl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-[(2-methyl-3-pyridyl)methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C#CC)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C#CC)O)O

InChI

InChI=1S/C26H31NO3/c1-4-12-26(29)15-21-9-8-19-14-22(30-17-20-7-6-13-27-18(20)3)10-11-23(19)25(21,5-2)16-24(26)28/h6-7,10-11,13-14,21,24,28-29H,5,8-9,15-17H2,1-3H3