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(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-5-methoxy-2,4,6,8,14-pentamethyl-10-prop-2-enyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-5-methoxy-2,4,6,8,14-pentamethyl-10-prop-2-enyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name:(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-5-methoxy-2,4,6,8,14-pentamethyl-10-prop-2-enyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
Openeye Name:(2S,4R,5R,6R,7S,8R,13S,14S)-10-allyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
CAS Name:(2S,4R,5R,6R,7S,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-prop-2-enyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
IUPAC Name:(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-prop-2-enyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
Traditional Name:(2S,4R,5R,6R,7S,8R,13S,14S)-10-allyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone
Formula: C33H53FN2O10
MolecularWeight: 656.779723
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C33H53FN2O10/c1-12-14-33(34)28(39)20(7)26(45-29-24(38)21(36(9)10)15-16(3)43-29)19(6)25(42-11)17(4)23(37)18(5)27-32(8,46-31(41)35-27)22(13-2)44-30(33)40/h12,16-22,24-27,29,38H,1,13-15H2,2-11H3,(H,35,41)/t16-,17+,18-,19-,20-,21+,22+,24-,25+,26+,27?,29+,32-,33?/m1/s1


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