(3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-10-[2-[3-[(4-phenoxyphenyl)methylamino]propylamino]ethoxyimino]-1-oxacyclotetradecane-2,4-dione

Systemtic Name: (3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-10-[2-[3-[(4-phenoxyphenyl)methylamino]propylamino]ethoxyimino]-1-oxacyclotetradecane-2,4-dione Openeye Name: (3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[2-[3-[(4-phenoxyphenyl)methylamino]propylamino]ethoxyimino]-oxacyclotetradecane-2,4-dione CAS Name: (3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[2-[3-[(4-phenoxyphenyl)methylamino]propylamino]ethoxyimino]-oxacyclotetradecane-2,4-dione IUPAC Name: (3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[2-[3-[(4-phenoxyphenyl)methylamino]propylamino]ethoxyimino]-oxacyclotetradecane-2,4-dione Traditional Name: (3R,5R,6R,7S,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-10-[2-[3-[(4-phenoxybenzyl)amino]propylamino]ethyloximino]-oxacyclotetradecane-2,4-quinone Formula: C48H76N4O11 MolecularWeight: 885.13724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCCNCCCNCC2=CC=C(C=C2)OC3=CC=CC=C3)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCCNCCCNCC2=CC=C(C=C2)OC3=CC=CC=C3)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C48H76N4O11/c1-12-39-48(8,57)43(55)32(4)40(51-59-26-25-49-23-16-24-50-29-35-19-21-37(22-20-35)61-36-17-14-13-15-18-36)30(2)28-47(7,58-11)44(33(5)41(53)34(6)45(56)62-39)63-46-42(54)38(52(9)10)27-31(3)60-46/h13-15,17-22,30-34,38-39,42-44,46,49-50,54-55,57H,12,16,23-29H2,1-11H3/b51-40+/t30-,31-,32+,33+,34-,38+,39-,42-,43-,44-,46+,47+,48-/m1/s1