[(2R,3S,4R,5R)-3,4-diacetyloxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[2,2,2-tris(chloranyl)ethoxycarbonylamino]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R)-3,4-diacetoxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetyloxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-3,4-diacetyloxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetoxy-6-[[(3S,8S,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-5-(2,2,2-trichloroethoxycarbonylamino)tetrahydropyran-2-yl]methyl ester Formula: C34H50Cl3NO10 MolecularWeight: 739.1205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4CCC5)C)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5(CCC[C@H]5[C@@H]4CCC3C2)C)C)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H50Cl3NO10/c1-18(39)43-16-26-28(45-19(2)40)29(46-20(3)41)27(38-31(42)44-17-34(35,36)37)30(48-26)47-22-10-14-33(5)21(15-22)8-9-23-24-7-6-12-32(24,4)13-11-25(23)33/h21-30H,6-17H2,1-5H3,(H,38,42)/t21?,22-,23-,24-,25-,26+,27+,28+,29+,30?,32-,33-/m0/s1