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2-[3-methoxy-11-methyl-16,17-bis(oxidanyl)-6,7,8,9,11,12,13,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanenitrile
2-[3-methoxy-11-methyl-16,17-bis(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:
CC1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3)C=C(C=C4)OC
Isomeric SMILES
CC1CC2C(CC(C2(CC#N)O)O)C3C1C4=C(CC3)C=C(C=C4)OC
InChI
InChI=1S/C21H27NO3/c1-12-9-18-17(11-19(23)21(18,24)7-8-22)16-5-3-13-10-14(25-2)4-6-15(13)20(12)16/h4,6,10,12,16-20,23-24H,3,5,7,9,11H2,1-2H3
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