2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxacyclohexadec-7-yl]ethanal

Systemtic Name: 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyl-oxan-2-yl]oxymethyl]-1-oxacyclohexadec-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-oxacyclohexadec-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyl-2-oxanyl]oxymethyl]-oxacyclohexadec-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxymethyl]-oxacyclohexadec-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,15R,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-2,10-diketo-5,9,13-trimethyl-15-[[(2R,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-oxacyclohexadec-7-yl]acetaldehyde Formula: C40H71NO13 MolecularWeight: 773.99064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H71NO13/c1-12-32-28(21-50-40-38(49-11)37(48-10)36(47-9)26(6)52-40)17-22(2)13-14-30(43)23(3)18-27(15-16-42)35(25(5)31(44)20-33(45)53-32)54-39-34(46)29(41(7)8)19-24(4)51-39/h16,22-29,31-32,34-40,44,46H,12-15,17-21H2,1-11H3/t22?,23-,24-,25+,26-,27+,28-,29+,31-,32-,34-,35-,36-,37-,38-,39+,40-/m1/s1