(9R,10S,11S,13S,16R,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10,11,13-pentakis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propyl]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide

Systemtic Name: (9R,10S,11S,13S,16R,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,5,8,10,12,14-hexamethyl-3,4,10,11,13-pentakis(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-6-yl]propyl]-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide Openeye Name: (9R,10S,11S,13S,16R,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-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,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-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,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-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,17S)-N-[3-[(2R,3S,4R,5R,8R,10R,11R,13S,14R)-2-ethyl-3,4,10,11,13-pentahydroxy-15-keto-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadec-6-yl]propyl]-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: C45H73FN2O10 MolecularWeight: 821.066923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)O)(C)O)C)CCCNC(=O)C2C(CC3C2(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)O)C)O)(C)O)C)CCCNC(=O)[C@H]2[C@@H](CC3[C@@]2(C[C@@H]([C@]4(C3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C)C)O)(C)O

InChI

InChI=1S/C45H73FN2O10/c1-11-34-44(10,57)38(53)28(6)48(23-24(2)21-43(9,56)37(52)26(4)36(51)27(5)40(55)58-34)18-12-17-47-39(54)35-25(3)19-32-31-14-13-29-20-30(49)15-16-42(29,8)45(31,46)33(50)22-41(32,35)7/h15-16,20,24-28,31-38,50-53,56-57H,11-14,17-19,21-23H2,1-10H3,(H,47,54)/t24-,25-,26?,27-,28-,31?,32?,33+,34-,35-,36+,37-,38-,41+,42+,43-,44-,45+/m1/s1