[(8R,9S,13S,14S,17S)-4-iodanyl-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] methanoate

Systemtic Name: [(8R,9S,13S,14S,17S)-4-iodanyl-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] methanoate Openeye Name: [(8R,9S,13S,14S,17S)-3-hydroxy-4-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] formate CAS Name: formic acid [(8R,9S,13S,14S,17S)-3-hydroxy-4-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-hydroxy-4-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] formate Traditional Name: formic acid [(8R,9S,13S,14S,17S)-3-hydroxy-4-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C19H23IO3 MolecularWeight: 426.28859

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC=O)CCC4=C3C=CC(=C4I)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC=O)CCC4=C3C=CC(=C4I)O

InChI

InChI=1S/C19H23IO3/c1-19-9-8-12-11-4-6-16(22)18(20)14(11)3-2-13(12)15(19)5-7-17(19)23-10-21/h4,6,10,12-13,15,17,22H,2-3,5,7-9H2,1H3/t12-,13-,15+,17+,19+/m1/s1