(1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-6-prop-2-enoxy-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-6-prop-2-enoxy-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-allyloxy-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,14-pentamethyl-6-prop-2-enoxy-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-6-prop-2-enoxy-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-allyloxy-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C32H52N2O10 MolecularWeight: 624.76268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)CC(=O)O1)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=C)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)CC(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC=C)C)C)NC(=O)O2)C

InChI

InChI=1S/C32H52N2O10/c1-11-13-40-31(7)16-17(3)25(37)20(6)27-32(8,44-30(39)33-27)23(12-2)42-24(36)15-22(35)19(5)28(31)43-29-26(38)21(34(9)10)14-18(4)41-29/h11,17-21,23,26-29,38H,1,12-16H2,2-10H3,(H,33,39)/t17-,18-,19+,20-,21+,23+,26-,27-,28-,29+,31+,32-/m1/s1