[(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[(2-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate

Systemtic Name: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[(2-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate Openeye Name: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[(2-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[[(2-chlorophenyl)-diphenoxyphosphorylmethyl]amino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester IUPAC Name: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[(2-chlorophenyl)-diphenoxyphosphorylmethyl]carbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate Traditional Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[(2-chlorophenyl)-diphenoxyphosphoryl-methyl]carbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester Formula: C51H65ClNO6P MolecularWeight: 854.491661

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)NC(C6=CC=CC=C6Cl)P(=O)(OC7=CC=CC=C7)OC8=CC=CC=C8

Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NC(C6=CC=CC=C6Cl)P(=O)(OC7=CC=CC=C7)OC8=CC=CC=C8

InChI

InChI=1S/C51H65ClNO6P/c1-33-25-30-51(46(55)53-45(38-21-15-16-22-40(38)52)60(56,58-36-17-11-9-12-18-36)59-37-19-13-10-14-20-37)32-31-49(7)39(44(51)34(33)2)23-24-42-48(6)28-27-43(57-35(3)54)47(4,5)41(48)26-29-50(42,49)8/h9-23,33-34,41-45H,24-32H2,1-8H3,(H,53,55)/t33-,34+,41+,42-,43+,44+,45?,48+,49-,50-,51+/m1/s1