(9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclo

Systemtic Name: (9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[11-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxidanylidene-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclo Openeye Name: (9R,10S,11S,13S,16R)-N-[[2-[[1-benzyl-2-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide CAS Name: (9R,10S,11S,13S,16R)-N-[[[2-[[1-[[1-[[2-[3-[13-[(4,5-dihydroxy-4,6-dimethyl-2-oxanyl)oxy]-11-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide IUPAC Name: (9R,10S,11S,13S,16R)-N-[[2-[[1-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamoyl]-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide Traditional Name: (9R,10S,11S,13S,16R)-N-[[2-[[1-benzyl-2-[[1-[[2-[3-[13-(4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-15-keto-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-9-fluoro-11-hydroxy-3-keto-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide Formula: C80H127FN8O20 MolecularWeight: 1539.904383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)NC(=O)C5C(CC6C5(CC(C7(C6CCC8=CC(=O)C=CC87C)F)O)C)C)C)O)(C)O

Isomeric SMILES

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)CCCNC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)NC(=O)C5[C@@H](CC6[C@@]5(C[C@@H]([C@]7(C6CCC8=CC(=O)C=C[C@@]87C)F)O)C)C)C)O)(C)O

InChI

InChI=1S/C80H127FN8O20/c1-18-59-79(15,104)66(95)48(9)89(41-43(4)36-78(14,103)68(109-73-64(94)57(88(16)17)33-45(6)105-73)46(7)65(47(8)72(100)107-59)108-62-38-77(13,102)67(96)49(10)106-62)30-22-29-82-60(92)39-83-69(97)55(31-42(2)3)86-70(98)56(34-50-23-20-19-21-24-50)85-61(93)40-84-74(101)87-71(99)63-44(5)32-54-53-26-25-51-35-52(90)27-28-76(51,12)80(53,81)58(91)37-75(54,63)11/h19-21,23-24,27-28,35,42-49,53-59,62-68,73,91,94-96,102-104H,18,22,25-26,29-34,36-41H2,1-17H3,(H,82,92)(H,83,97)(H,85,93)(H,86,98)(H2,84,87,99,101)/t43?,44-,45?,46?,47?,48?,49?,53?,54?,55?,56?,57?,58+,59?,62?,63?,64?,65?,66?,67?,68?,73?,75+,76+,77?,78?,79?,80+/m1/s1