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2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
2,2-dimethylpropanoic acid; (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
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Canonical SMILES:
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O.CC(C)(C)C(=O)O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.CC(C)(C)C(=O)O
InChI
InChI=1S/C18H24O2.C5H10O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20;1-5(2,3)4(6)7/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3;1-3H3,(H,6,7)/t14-,15-,16+,17+,18+;/m1./s1
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