(3S,6S,8S,9S,13R,14S,17R)-6-(2-iodanylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,6S,8S,9S,13R,14S,17R)-6-(2-iodanylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Openeye Name: (3S,6S,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-(2-iodanylethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol CAS Name: (3S,6S,8S,9S,13R,14S,17R)-6-(2-iodanylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,6S,8S,9S,13R,14S,17R)-6-(2-iodanylethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Traditional Name: (3S,6S,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-(2-iodanylethyl)-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol Formula: C28H47IO MolecularWeight: 530.578304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4=C3CCC(C4)O)CCI)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=C3CC[C@@H](C4)O)CC[131I])C

InChI

InChI=1S/C28H47IO/c1-18(2)6-5-7-19(3)26-10-11-27-25-16-20(13-15-29)24-17-21(30)8-9-22(24)23(25)12-14-28(26,27)4/h18-21,23,25-27,30H,5-17H2,1-4H3/t19-,20-,21+,23-,25-,26-,27+,28-/m1/s1/i29+4