[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[2-[(triphenylmethyl)amino]ethanoylamino]ethanoate

Systemtic Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[2-[(triphenylmethyl)amino]ethanoylamino]ethanoate Openeye Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[[2-(tritylamino)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]ethyl]amino]acetic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl] ester IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-[[2-(tritylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(tritylamino)acetyl]amino]acetic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10-[tert-butyl(dimethyl)silyl]oxy-6,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] ester Formula: C49H66N2O8Si MolecularWeight: 839.14244

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)CNC(=O)CNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)C)O[Si](C)(C)C(C)(C)C)C

Isomeric SMILES

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CNC(=O)CNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O)(C)C)O[Si](C)(C)C(C)(C)C)C)O)C=C

InChI

InChI=1S/C49H66N2O8Si/c1-12-45(7)30-36(52)49(56)46(8)37(58-60(10,11)43(2,3)4)28-29-44(5,6)41(46)40(55)42(47(49,9)59-45)57-39(54)32-50-38(53)31-51-48(33-22-16-13-17-23-33,34-24-18-14-19-25-34)35-26-20-15-21-27-35/h12-27,37,40-42,51,55-56H,1,28-32H2,2-11H3,(H,50,53)/t37-,40-,41-,42-,45-,46-,47+,49-/m0/s1