[(3R,4S,5S,6R,7S,9R,10S,11R,12R,13S)-10-(dimethylamino)-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-(methoxymethoxy)-3-phenyl-propanoate

Systemtic Name: [(3R,4S,5S,6R,7S,9R,10S,11R,12R,13S)-10-(dimethylamino)-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-(methoxymethoxy)-3-phenyl-propanoate Openeye Name: [(3R,4S,5S,6R,7S,9R,10S,11R,12R,13S)-10-(dimethylamino)-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-(methoxymethoxy)-3-phenyl-propanoate CAS Name: 2-(methoxymethoxy)-3-phenylpropanoic acid [(3R,4S,5S,6R,7S,9R,10S,11R,12R,13S)-10-(dimethylamino)-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,9R,10S,11R,12R,13S)-10-(dimethylamino)-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-(methoxymethoxy)-3-phenylpropanoate Traditional Name: 2-(methoxymethoxy)-3-phenyl-propionic acid [(3R,4S,5S,6R,7S,9R,10S,11R,12R,13S)-10-(dimethylamino)-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: C42H72N2O12 MolecularWeight: 797.02728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1[C@@]([C@@H]([C@@H]([C@H]([C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)C(CC2=CC=CC=C2)OCOC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N(C)C)C)O)(C)O

InChI

InChI=1S/C42H72N2O12/c1-14-32-42(8,50)36(46)26(4)33(44(11)12)24(2)22-41(7,49)37(56-40-34(45)30(43(9)10)20-25(3)53-40)27(5)35(28(6)38(47)54-32)55-39(48)31(52-23-51-13)21-29-18-16-15-17-19-29/h15-19,24-28,30-37,40,45-46,49-50H,14,20-23H2,1-13H3/t24-,25-,26-,27+,28-,30+,31?,32?,33+,34-,35+,36-,37-,40+,41+,42-/m1/s1