[(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl] 2-phenylethanoate

Systemtic Name: [(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-4-yl] 2-phenylethanoate Openeye Name: [(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethoxyimino)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] ester IUPAC Name: [(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(3R,4S,5S,6R,7S,9S,10E,11R,12R,13S,14S)-10-(cyclopropylmethyloximino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-4-yl] ester Formula: C41H66N2O11 MolecularWeight: 762.96954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC2CC2)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC3=CC=CC=C3)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OCC2CC2)/[C@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CC=CC=C3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O

InChI

InChI=1S/C41H66N2O11/c1-11-31-41(8,49)36(46)25(4)33(42-50-22-29-17-18-29)23(2)21-40(7,48)37(54-39-34(45)30(43(9)10)19-24(3)51-39)26(5)35(27(6)38(47)52-31)53-32(44)20-28-15-13-12-14-16-28/h12-16,23-27,29-31,34-37,39,45-46,48-49H,11,17-22H2,1-10H3/b42-33+/t23-,24+,25+,26-,27+,30-,31-,34+,35-,36+,37+,39-,40-,41+/m0/s1