(8R,9S,10R,13S,14S)-17-(6-iodanylhex-1-ynyl)-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8R,9S,10R,13S,14S)-17-(6-iodanylhex-1-ynyl)-13-methyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(6-iodanylhex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(6-iodanylhex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(6-iodanylhex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8R,9S,10R,13S,14S)-17-hydroxy-17-(6-iodanylhex-1-ynyl)-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C24H33IO2 MolecularWeight: 478.422244

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#CCCCCI)O)CCC4=CC(=O)CCC34

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#CCCCC[125I])O)CCC4=CC(=O)CC[C@H]34

InChI

InChI=1S/C24H33IO2/c1-23-13-10-20-19-9-7-18(26)16-17(19)6-8-21(20)22(23)11-14-24(23,27)12-4-2-3-5-15-25/h16,19-22,27H,2-3,5-11,13-15H2,1H3/t19-,20+,21+,22-,23-,24?/m0/s1/i25-2