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

Systemtic Name: (5S,6R,7R,9R,11E,13E,15R,16R)-7-[2-(azepan-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Openeye Name: (5S,6R,7R,9R,11E,13E,15R,16R)-7-[2-(azepan-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (5S,6R,7R,9R,11E,13E,15R,16R)-7-[2-(1-azepanyl)ethyl]-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (5S,6R,7R,9R,11E,13E,15R,16R)-7-[2-(azepan-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (5S,6R,7R,9R,11E,13E,15R,16R)-7-[2-(azepan-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,9,13-trimethyl-15-methylol-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C37H64N2O7 MolecularWeight: 648.91326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(CCC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)CCN3CCCCCC3)C)C)CO

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](CCC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)CCN3CCCCCC3)C)\C)CO

InChI

InChI=1S/C37H64N2O7/c1-8-33-30(24-40)21-25(2)13-15-32(41)27(4)22-29(17-20-39-18-11-9-10-12-19-39)36(26(3)14-16-34(42)45-33)46-37-35(43)31(38(6)7)23-28(5)44-37/h13,15,21,26-31,33,35-37,40,43H,8-12,14,16-20,22-24H2,1-7H3/b15-13+,25-21+/t26-,27+,28+,29-,30+,31-,33+,35+,36+,37-/m0/s1