(9R,10S,11S,13S,16R,17S)-N-[3-[(2R,3R,4S,5R,11R,13S,14R)-11-[(2R,4S,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2S,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,10,10,14-pentamethyl-3,4-bis(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,3R,4S,5R,11R,13S,14R)-11-[(2R,4S,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2S,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,10,10,14-pentamethyl-3,4-bis(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,3R,4S,5R,11R,13S,14R)-11-[(2R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,10,10,14-pentamethyl-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,3R,4S,5R,11R,13S,14R)-11-[[(2R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4-dihydroxy-13-[[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,10,10,14-pentamethyl-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,3R,4S,5R,11R,13S,14R)-11-[(2R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,10,10,14-pentamethyl-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,3R,4S,5R,11R,13S,14R)-11-[(2R,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,10,10,14-pentamethyl-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: C60H100FN3O14 MolecularWeight: 1106.446103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CCCC(C(CC(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)OC3C(C(CC(O3)C)N(C)C)O)(C)C)CCCNC(=O)C4C(CC5C4(CC(C6(C5CCC7=CC(=O)C=CC76C)F)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@]([C@H]([C@H](N(CCCC([C@@H](C[C@@H]([C@H](C(=O)O1)C)O[C@@H]2C[C@]([C@@H]([C@H](O2)C)O)(C)OC)O[C@@H]3C([C@H](C[C@@H](O3)C)N(C)C)O)(C)C)CCCNC(=O)[C@H]4[C@@H](CC5[C@@]4(C[C@@H]([C@]6(C5CCC7=CC(=O)C=C[C@@]76C)F)O)C)C)C)O)(C)O

InChI

InChI=1S/C60H100FN3O14/c1-16-45-59(12,72)50(68)36(5)64(26-18-24-62-52(70)48-33(2)27-41-40-20-19-38-29-39(65)21-23-57(38,10)60(40,61)44(66)31-56(41,48)9)25-17-22-55(7,8)46(78-54-49(67)42(63(13)14)28-34(3)74-54)30-43(35(4)53(71)77-45)76-47-32-58(11,73-15)51(69)37(6)75-47/h21,23,29,33-37,40-51,54,66-69,72H,16-20,22,24-28,30-32H2,1-15H3,(H,62,70)/t33-,34+,35-,36-,37-,40?,41?,42+,43+,44+,45-,46-,47-,48-,49?,50+,51-,54-,56+,57+,58+,59+,60+/m1/s1