(2S,3R,4R,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(4-methylpentoxy)oxan-2-yl]oxy-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide

Systemtic Name: (2S,3R,4R,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(4-methylpentoxy)oxan-2-yl]oxy-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide Openeye Name: (2S,3R,4R,5S,6R)-3-hydroxy-5-[(2S,4R,5S,6S)-5-isohexyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-N,N,6-trimethyl-tetrahydropyran-4-amine oxide CAS Name: (2S,3R,4R,5S,6R)-3-hydroxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(4-methylpentoxy)-2-oxanyl]oxy]-N,N,6-trimethyl-4-oxanamine oxide IUPAC Name: (2S,3R,4R,5S,6R)-3-hydroxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(4-methylpentoxy)oxan-2-yl]oxy-N,N,6-trimethyloxan-4-amine oxide Traditional Name: (2S,3R,4R,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-2,10-diketo-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-4-propionyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-3-hydroxy-5-[(2S,4R,5S,6S)-5-isohexyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide Formula: C45H75NO15 MolecularWeight: 870.0747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC(=O)OC(CC=CC=CC(=O)C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OCCCC(C)C)(C)OC)[N+](C)(C)[O-])O)CC=O)C)C

Isomeric SMILES

CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OCCCC(C)C)(C)OC)[N+](C)(C)[O-])O)CC=O)C)C

InChI

InChI=1S/C45H75NO15/c1-13-35(49)59-34-25-36(50)56-29(5)19-15-14-16-20-33(48)28(4)24-32(21-22-47)41(42(34)53-11)61-44-39(51)38(46(9,10)52)40(30(6)58-44)60-37-26-45(8,54-12)43(31(7)57-37)55-23-17-18-27(2)3/h14-16,20,22,27-32,34,37-44,51H,13,17-19,21,23-26H2,1-12H3/b15-14+,20-16+/t28-,29-,30-,31+,32+,34-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1