(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[(2R,4R,5R,6S)-4-ethanoyl-4,6-dimethyl-5-[(E)-3-naphthalen-1-ylprop-2-enoxy]oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-[(2R,4R,5R,6S)-4-ethanoyl-4,6-dimethyl-5-[(E)-3-naphthalen-1-ylprop-2-enoxy]oxan-2-yl]oxy-2-ethyl-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(1-naphthyl)allyloxy]tetrahydropyran-2-yl]oxy-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[[(2R,4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(1-naphthalenyl)prop-2-enoxy]-2-oxanyl]oxy]-11-[[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-naphthalen-1-ylprop-2-enoxy]oxan-2-yl]oxy-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(1-naphthyl)allyloxy]tetrahydropyran-2-yl]oxy-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one Formula: C52H82N2O12 MolecularWeight: 927.21368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OCC=CC3=CC=CC4=CC=CC=C43)(C)C(=O)C)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC/C=C/C3=CC=CC4=CC=CC=C43)(C)C(=O)C)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C52H82N2O12/c1-15-41-52(11,60)45(57)34(6)54(14)29-30(2)27-51(10,59)46(66-49-43(56)40(53(12)13)26-31(3)62-49)32(4)44(33(5)48(58)64-41)65-42-28-50(9,36(8)55)47(35(7)63-42)61-25-19-23-38-22-18-21-37-20-16-17-24-39(37)38/h16-24,30-35,40-47,49,56-57,59-60H,15,25-29H2,1-14H3/b23-19+/t30-,31-,32+,33-,34-,35+,40+,41-,42+,43-,44+,45-,46-,47+,49?,50+,51-,52-/m1/s1