(2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-10-oxidanyl-10-[(E)-3-phenylprop-2-enyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-7-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,14-pentamethyl-10-oxidanyl-10-[(E)-3-phenylprop-2-enyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-10-[(E)-cinnamyl]-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-hydroxy-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-7-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-hydroxy-2,4,6,8,14-pentamethyl-10-[(E)-3-phenylprop-2-enyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-hydroxy-2,4,6,8,14-pentamethyl-10-[(E)-3-phenylprop-2-enyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (2S,4R,6S,7R,8R,13S)-6-[(E)-but-2-enoxy]-10-[(E)-cinnamyl]-7-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-hydroxy-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H62N2O11 MolecularWeight: 770.94848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(CC=CC3=CC=CC=C3)O)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OCC=CC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1C2(C([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C/C=C/C3=CC=CC=C3)O)C)OC4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC/C=C/C)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H62N2O11/c1-11-13-22-51-40(7)24-25(3)32(45)27(5)34-41(8,55-39(49)43-34)31(12-2)53-38(48)42(50,21-17-20-29-18-15-14-16-19-29)35(47)28(6)36(40)54-37-33(46)30(44(9)10)23-26(4)52-37/h11,13-20,25-28,30-31,33-34,36-37,46,50H,12,21-24H2,1-10H3,(H,43,49)/b13-11+,20-17+/t25-,26-,27-,28+,30+,31+,33-,34?,36-,37?,40+,41?,42?/m1/s1