[(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-methanoyloxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-4-(2-methylpropanoyloxy)-7-oxidanylidene-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] 2-methylpropanoate

Systemtic Name: [(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-oxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-methanoyloxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-4-(2-methylpropanoyloxy)-7-oxidanylidene-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] 2-methylpropanoate Openeye Name: [(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-formyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,14-hexamethyl-4-(2-methylpropanoyloxy)-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-5-ethyl-9-[[(2R,4R,5S,6S)-5-formyloxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,8,10,12,14-hexamethyl-4-(2-methyl-1-oxopropoxy)-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] ester IUPAC Name: [(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-formyloxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-4-(2-methylpropanoyloxy)-7-oxo-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2R,3R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-3-acetoxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-formyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-isobutyryloxy-7-keto-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-3-yl] ester Formula: C48H79NO16 MolecularWeight: 926.13796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC=O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)C)C)C)OC(=O)C(C)C)(C)OC(=O)C(C)C

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC=O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)C)C)C)OC(=O)C(C)C)(C)OC(=O)C(C)C

InChI

InChI=1S/C48H79NO16/c1-19-34-48(15,65-43(53)25(4)5)40(62-42(52)24(2)3)28(8)36-26(6)21-47(14,64-36)39(63-45-38(59-32(12)51)33(49(16)17)20-27(7)57-45)29(9)37(30(10)44(54)60-34)61-35-22-46(13,55-18)41(56-23-50)31(11)58-35/h23-25,27-31,33-35,37-41,45H,19-22H2,1-18H3/t27-,28+,29+,30-,31+,33+,34-,35+,37+,38-,39-,40-,41+,45+,46-,47-,48-/m1/s1