2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclohexadec-12-en-7-yl]ethanal

Systemtic Name: 2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-4,14-bis(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclohexadec-12-en-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadec-12-en-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-6-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadec-12-en-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadec-12-en-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,12E,14S,15S,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4,14-dihydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2,10-diketo-5,9,13-trimethyl-1-oxacyclohexadec-12-en-7-yl]acetaldehyde Formula: C39H67NO15 MolecularWeight: 789.94698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H67NO15/c1-11-28-25(18-51-39-37(50-10)36(49-9)33(47)23(6)53-39)31(45)19(2)12-13-26(42)20(3)16-24(14-15-41)35(21(4)27(43)17-29(44)54-28)55-38-34(48)30(40(7)8)32(46)22(5)52-38/h12,15,20-25,27-28,30-39,43,45-48H,11,13-14,16-18H2,1-10H3/b19-12+/t20-,21+,22-,23-,24+,25-,27-,28-,30+,31-,32-,33-,34-,35-,36-,37-,38+,39-/m1/s1