ethyl (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-oxidanyl-hexanoate

Systemtic Name: ethyl (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-oxidanyl-hexanoate Openeye Name: ethyl (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-hydroxy-hexanoate CAS Name: (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-hydroxyhexanoic acid ethyl ester IUPAC Name: ethyl (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-hydroxyhexanoate Traditional Name: (2S,4R,5S)-5-[(3S,8S,9S,10R,13S,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-4-hydroxy-hexanoic acid ethyl ester Formula: C45H66O4Si MolecularWeight: 699.08864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C[C@H]([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)O)C(=O)OCC

InChI

InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32-,34-,37-,38+,39-,40-,41+,44-,45+/m0/s1