ethyl (2S,4S,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-(2,2-dimethylpropyl)-4-oxidanyl-hexanoate

Systemtic Name: ethyl (2S,4S,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-(2,2-dimethylpropyl)-4-oxidanyl-hexanoate Openeye Name: ethyl (2S,4S,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-(2,2-dimethylpropyl)-4-hydroxy-hexanoate CAS Name: (2S,4S,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-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester IUPAC Name: ethyl (2S,4S,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-(2,2-dimethylpropyl)-4-hydroxyhexanoate Traditional Name: (2S,4S,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]-4-hydroxy-2-neopentyl-hexanoic acid ethyl ester Formula: C48H72O4Si MolecularWeight: 741.16838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(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)CC(C)(C)C

Isomeric SMILES

CCOC(=O)[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)CC(C)(C)C

InChI

InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34+,36-,39-,40+,41-,42-,43-,47-,48+/m0/s1