(8R,9S,13S,14S)-2-iodanyl-13-methyl-3-oxidanyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione

Systemtic Name: (8R,9S,13S,14S)-2-iodanyl-13-methyl-3-oxidanyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione Openeye Name: (8R,9S,13S,14S)-3-hydroxy-2-iodo-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione CAS Name: (8R,9S,13S,14S)-3-hydroxy-2-iodo-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-iodo-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-dione Traditional Name: (8R,9S,13S,14S)-3-hydroxy-2-iodo-13-methyl-6,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-7,17-quinone Formula: C18H19IO3 MolecularWeight: 410.24613

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)C(=O)CC4=CC(=C(C=C34)I)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)CC4=CC(=C(C=C34)I)O

InChI

InChI=1S/C18H19IO3/c1-18-5-4-10-11-8-13(19)14(20)6-9(11)7-15(21)17(10)12(18)2-3-16(18)22/h6,8,10,12,17,20H,2-5,7H2,1H3/t10-,12+,17-,18+/m1/s1