ethyl (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-hexanoate

Systemtic Name: ethyl (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-hexanoate Openeye Name: ethyl (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-hexanoate CAS Name: (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethylhexanoic acid ethyl ester IUPAC Name: ethyl (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethylhexanoate Traditional Name: (2R,5R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-hexanoic acid ethyl ester Formula: C45H66O3Si MolecularWeight: 683.08924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)C(=O)OCC

Isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)C(=O)OCC

InChI

InChI=1S/C45H66O3Si/c1-9-33(42(46)47-10-2)22-21-32(3)39-25-26-40-38-24-23-34-31-35(27-29-44(34,7)41(38)28-30-45(39,40)8)48-49(43(4,5)6,36-17-13-11-14-18-36)37-19-15-12-16-20-37/h11-20,23,32-33,35,38-41H,9-10,21-22,24-31H2,1-8H3/t32-,33-,35+,38+,39-,40+,41+,44+,45-/m1/s1