(5S,6S,7R,9R,11E,13E,15S,16R)-7-[2-(azetidin-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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)-7-[2-(azetidin-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-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)-7-[2-(azetidin-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione CAS Name: (5S,6S,7R,9R,11E,13E,15S,16R)-7-[2-(1-azetidinyl)ethyl]-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione IUPAC Name: (5S,6S,7R,9R,11E,13E,15S,16R)-7-[2-(azetidin-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione Traditional Name: (5S,6S,7R,9R,11E,13E,15S,16R)-7-[2-(azetidin-1-yl)ethyl]-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-quinone Formula: C34H58N2O7 MolecularWeight: 606.83352

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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)CCN3CCC3)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)CCN3CCC3)C)\C)C

InChI

InChI=1S/C34H58N2O7/c1-9-30-23(4)17-21(2)11-12-28(37)22(3)18-26(13-16-36-14-10-15-36)33(25(6)29(38)20-31(39)42-30)43-34-32(40)27(35(7)8)19-24(5)41-34/h11-12,17,22-27,29-30,32-34,38,40H,9-10,13-16,18-20H2,1-8H3/b12-11+,21-17+/t22-,23+,24-,25+,26+,27+,29?,30-,32-,33-,34+/m1/s1