(8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-phenylselanylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-phenylselanylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Openeye Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-phenylselanylvinyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol CAS Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-(phenylseleno)ethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol IUPAC Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-phenylselanylethenyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Traditional Name: (8R,9S,13S,14S,17R)-13-methyl-17-[(Z)-2-(phenylseleno)vinyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Formula: C26H30O2Se MolecularWeight: 453.4752

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C=C[Se]C4=CC=CC=C4)O)CCC5=C3C=CC(=C5)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(/C=C\[Se]C4=CC=CC=C4)O)CCC5=C3C=CC(=C5)O

InChI

InChI=1S/C26H30O2Se/c1-25-13-11-22-21-10-8-19(27)17-18(21)7-9-23(22)24(25)12-14-26(25,28)15-16-29-20-5-3-2-4-6-20/h2-6,8,10,15-17,22-24,27-28H,7,9,11-14H2,1H3/b16-15-/t22-,23-,24+,25+,26-/m1/s1