(1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol

Systemtic Name: (1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol Openeye Name: (1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol CAS Name: (1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol IUPAC Name: (1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol Traditional Name: (1S,3R,9S,10R,11R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,11-diol Formula: C33H58O4Si MolecularWeight: 546.89672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1CCC2C1(CC(C3C2=CC=C4C3(C(CC(C4)O[Si](C)(C)C(C)(C)C)O)C)O)C

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O)C)O)C

InChI

InChI=1S/C33H58O4Si/c1-21(12-11-17-31(5,6)36)25-15-16-26-24-14-13-22-18-23(37-38(9,10)30(2,3)4)19-28(35)33(22,8)29(24)27(34)20-32(25,26)7/h13-14,21,23,25-29,34-36H,11-12,15-20H2,1-10H3/t21-,23-,25-,26+,27-,28+,29-,32-,33-/m1/s1