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2-[7-ethyl-3,16,17-tris(oxidanyl)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
2-[7-ethyl-3,16,17-tris(oxidanyl)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCC1CC2=C(C=CC(=C2)O)C3C1C4CC(C(C4CC3)(CC#N)O)O
Isomeric SMILES
CCC1CC2=C(C=CC(=C2)O)C3C1C4CC(C(C4CC3)(CC#N)O)O
InChI
InChI=1S/C21H27NO3/c1-2-12-9-13-10-14(23)3-4-15(13)16-5-6-18-17(20(12)16)11-19(24)21(18,25)7-8-22/h3-4,10,12,16-20,23-25H,2,5-7,9,11H2,1H3
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