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4a-ethyl-2-prop-1-ynyl-7-(pyridin-3-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol
4a-ethyl-2-prop-1-ynyl-7-(pyridin-3-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol
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Descriptors Computed from Structure
Canonical SMILES:
CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CN=CC=C4)(C#CC)O)O
Isomeric SMILES
CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CN=CC=C4)(C#CC)O)O
InChI
InChI=1S/C25H29NO3/c1-3-11-25(28)14-20-8-7-19-13-21(29-17-18-6-5-12-26-16-18)9-10-22(19)24(20,4-2)15-23(25)27/h5-6,9-10,12-13,16,20,23,27-28H,4,7-8,14-15,17H2,1-2H3
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