[(2R,3S,4S,5R,6R)-5-acetyloxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetyloxy-4-(diethoxymethoxy)-6-methyl-oxan-2-yl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-5,9,13-trimethyl-2-oxidanyl-4,10-bis(oxidanylidene)-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-5-acetyloxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetyloxy-4-(diethoxymethoxy)-6-methyl-oxan-2-yl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-5,9,13-trimethyl-2-oxidanyl-4,10-bis(oxidanylidene)-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-5-acetoxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetoxy-4-(diethoxymethoxy)-6-methyl-tetrahydropyran-2-yl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-2-hydroxy-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-5-acetyloxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetyloxy-4-(diethoxymethoxy)-6-methyl-2-oxanyl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-2-hydroxy-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyl-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-5-acetyloxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetyloxy-4-(diethoxymethoxy)-6-methyloxan-2-yl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-2-hydroxy-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-5-acetoxy-6-[[(2Z,5R,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,5-diacetoxy-4-(diethoxymethoxy)-6-methyl-tetrahydropyran-2-yl]oxymethyl]-7-(2,2-diethoxyethyl)-16-ethyl-2-hydroxy-4,10-diketo-5,9,13-trimethyl-1-oxacyclohexadeca-2,11,13-trien-6-yl]oxy]-4-(dimethylamino)-2-methyl-tetrahydropyran-3-yl] ester Formula: C54H87NO21 MolecularWeight: 1086.26268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(=O)C=C(O1)O)C)OC2C(C(C(C(O2)C)OC(=O)C)N(C)C)OC(=O)C)CC(OCC)OCC)C)C)COC3C(C(C(C(O3)C)OC(=O)C)OC(OCC)OCC)OC(=O)C

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)/C=C(\O1)/O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC(=O)C)N(C)C)OC(=O)C)CC(OCC)OCC)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC(OCC)OCC)OC(=O)C

InChI

InChI=1S/C54H87NO21/c1-17-42-39(28-67-52-51(73-37(14)59)50(76-54(65-20-4)66-21-5)48(33(10)68-52)71-35(12)57)24-29(6)22-23-40(60)30(7)25-38(26-44(63-18-2)64-19-3)46(31(8)41(61)27-43(62)74-42)75-53-49(72-36(13)58)45(55(15)16)47(32(9)69-53)70-34(11)56/h22-24,27,30-33,38-39,42,44-54,62H,17-21,25-26,28H2,1-16H3/b23-22+,29-24+,43-27-/t30-,31+,32-,33-,38-,39-,42-,45+,46-,47-,48-,49-,50-,51-,52-,53+/m1/s1