[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(4-cyanophenyl)carbamate

Systemtic Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(4-cyanophenyl)carbamate Openeye Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(4-cyanophenyl)carbamate CAS Name: N-(4-cyanophenyl)carbamic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester IUPAC Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl N-(4-cyanophenyl)carbamate Traditional Name: N-(4-cyanophenyl)carbamic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-8,16-diketo-11-(2-ketoethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester Formula: C39H55N3O11 MolecularWeight: 741.8675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=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)COC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=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)COC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C39H55N3O11/c1-8-32-28(21-50-39(49)41-29-12-10-26(20-40)11-13-29)17-22(2)9-14-30(44)23(3)18-27(15-16-43)37(24(4)31(45)19-33(46)52-32)53-38-36(48)34(42(6)7)35(47)25(5)51-38/h9-14,16-17,23-25,27-28,31-32,34-38,45,47-48H,8,15,18-19,21H2,1-7H3,(H,41,49)/b14-9+,22-17+/t23-,24+,25-,27+,28-,31-,32-,34+,35-,36-,37-,38+/m1/s1