2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-5-(4-quinolin-3-ylbutoxy)oxan-2-yl]oxy-16-ethyl-15-(fluoranylmethyl)-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal

Systemtic Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-5-(4-quinolin-3-ylbutoxy)oxan-2-yl]oxy-16-ethyl-15-(fluoranylmethyl)-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-[4-(3-quinolyl)butoxy]tetrahydropyran-2-yl]oxy-16-ethyl-15-(fluoromethyl)-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[[(2R,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-[4-(3-quinolinyl)butoxy]-2-oxanyl]oxy]-16-ethyl-15-(fluoromethyl)-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-(4-quinolin-3-ylbutoxy)oxan-2-yl]oxy-16-ethyl-15-(fluoromethyl)-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-5-[4-(3-quinolyl)butoxy]tetrahydropyran-2-yl]oxy-16-ethyl-15-(fluoromethyl)-4-hydroxy-2,10-diketo-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Formula: C44H63FN2O9 MolecularWeight: 782.977423

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)OCCCCC3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C)C)CF

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)OCCCCC3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C)\C)CF

InChI

InChI=1S/C44H63FN2O9/c1-8-38-34(25-45)21-27(2)16-17-36(49)28(3)22-33(18-19-48)42(29(4)37(50)24-39(51)55-38)56-44-41(52)40(47(6)7)43(30(5)54-44)53-20-12-11-13-31-23-32-14-9-10-15-35(32)46-26-31/h9-10,14-17,19,21,23,26,28-30,33-34,37-38,40-44,50,52H,8,11-13,18,20,22,24-25H2,1-7H3/b17-16+,27-21+/t28-,29+,30-,33+,34-,37-,38-,40-,41-,42-,43-,44+/m1/s1