10,13-dimethyl-17-[1-(2-methyl-2-oxidanyl-propyl)sulfanylethyl]-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Systemtic Name: 10,13-dimethyl-17-[1-(2-methyl-2-oxidanyl-propyl)sulfanylethyl]-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Openeye Name: 17-[1-(2-hydroxy-2-methyl-propyl)sulfanylethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol CAS Name: 17-[1-[(2-hydroxy-2-methylpropyl)thio]ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol IUPAC Name: 17-[1-(2-hydroxy-2-methylpropyl)sulfanylethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Traditional Name: 17-[1-[(2-hydroxy-2-methyl-propyl)thio]ethyl]-10,13-dimethyl-2,3,4,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-1,3-diol Formula: C25H38O3S MolecularWeight: 418.63242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)O)O)C)C)SCC(C)(C)O

Isomeric SMILES

CC(C1=CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)O)O)C)C)SCC(C)(C)O

InChI

InChI=1S/C25H38O3S/c1-15(29-14-23(2,3)28)19-8-9-20-18-7-6-16-12-17(26)13-22(27)25(16,5)21(18)10-11-24(19,20)4/h6-8,15,17,20-22,26-28H,9-14H2,1-5H3