[(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-(4-fluorophenyl)ethanoate

Systemtic Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 2-(4-fluorophenyl)ethanoate Openeye Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] ester IUPAC Name: [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid [(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-14-ethyl-12,13-dihydroxy-2,10-diketo-7-methoxy-6-[(3S,4R,6S)-3-methoxy-6-methyl-4-[methyl(propargyl)amino]tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl] ester Formula: C41H62FNO11 MolecularWeight: 763.929483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC2=CC=C(C=C2)F)C)OC3C(C(CC(O3)C)N(C)CC#C)OC)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CC=C(C=C2)F)C)OC3[C@H]([C@@H](C[C@@H](O3)C)N(C)CC#C)OC)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C41H62FNO11/c1-13-19-43(10)30-20-24(4)51-39(35(30)49-11)54-37-26(6)34(53-32(44)21-28-15-17-29(42)18-16-28)27(7)38(47)52-31(14-2)41(9,48)36(46)25(5)33(45)23(3)22-40(37,8)50-12/h1,15-18,23-27,30-31,34-37,39,46,48H,14,19-22H2,2-12H3/t23-,24+,25-,26+,27-,30-,31-,34+,35+,36-,37-,39?,40-,41-/m1/s1