(5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-[2-[(2,2-dimethyl-3-oxidanyl-propyl)amino]ethyl]-16-ethyl-5,9,13,15-tetramethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

Systemtic Name: (5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-7-[2-[(2,2-dimethyl-3-oxidanyl-propyl)amino]ethyl]-16-ethyl-5,9,13,15-tetramethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-7-[2-[(3-hydroxy-2,2-dimethyl-propyl)amino]ethyl]-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (5S,6S,7R,9R,11E,13E,15S,16R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-7-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-7-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethyl]-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (5S,6S,7R,9R,11E,13E,15S,16R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-7-[2-[(3-hydroxy-2,2-dimethyl-propyl)amino]ethyl]-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C36H64N2O8 MolecularWeight: 652.90196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(CC(O2)C)N(C)C)O)CCNCC(C)(C)CO)C)C)C

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CCNCC(C)(C)CO)C)\C)C

InChI

InChI=1S/C36H64N2O8/c1-11-31-24(4)16-22(2)12-13-29(40)23(3)17-27(14-15-37-20-36(7,8)21-39)34(26(6)30(41)19-32(42)45-31)46-35-33(43)28(38(9)10)18-25(5)44-35/h12-13,16,23-28,30-31,33-35,37,39,41,43H,11,14-15,17-21H2,1-10H3/b13-12+,22-16+/t23-,24+,25-,26+,27+,28+,30?,31-,33-,34-,35+/m1/s1