(3S,5R,10S,13R,14S,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-5-methylhexan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol

Systemtic Name: (3S,5R,10S,13R,14S,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-5-methylhexan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol Openeye Name: (3S,5R,10S,13R,14S,15R,17R)-17-[(1R)-1,4-dimethylpentyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol CAS Name: (3S,5R,10S,13R,14S,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-5-methylhexan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol IUPAC Name: (3S,5R,10S,13R,14S,15R,17R)-4,4,10,13-tetramethyl-17-[(2R)-5-methylhexan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol Traditional Name: (3S,5R,10S,13R,14S,15R,17R)-17-[(1R)-1,4-dimethylpentyl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,15-diol Formula: C28H48O2 MolecularWeight: 416.67952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)C1CC(C2C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)O

Isomeric SMILES

C[C@H](CCC(C)C)[C@H]1C[C@H]([C@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O

InChI

InChI=1S/C28H48O2/c1-17(2)8-9-18(3)21-16-22(29)25-19-10-11-23-26(4,5)24(30)13-15-27(23,6)20(19)12-14-28(21,25)7/h17-18,21-25,29-30H,8-16H2,1-7H3/t18-,21-,22-,23+,24+,25+,27-,28-/m1/s1