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

Systemtic Name: (3S,6R,8S,9S,13R,14S,17R)-6-(iodanylmethyl)-3-methoxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Openeye Name: (3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-3-methoxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene CAS Name: (3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-3-methoxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene IUPAC Name: (3S,6R,8S,9S,13R,14S,17R)-6-(iodomethyl)-3-methoxy-13-methyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Traditional Name: (3S,6R,8S,9S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-(iodomethyl)-3-methoxy-13-methyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene Formula: C28H47IO MolecularWeight: 526.57665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4=C3CCC(C4)OC)CI)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)OC)CI)C

InChI

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