(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-[(4R,5R,6S)-4-ethanoyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)prop-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-[(4R,5R,6S)-4-ethanoyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)prop-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-[(4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)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-[[(4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)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-[(4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)prop-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-[(4R,5R,6S)-4-acetyl-4,6-dimethyl-5-[(E)-3-(4-phenylphenyl)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: C54H84N2O12 MolecularWeight: 953.25096

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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=C(C=C3)C4=CC=CC=C4)(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)OC2C[C@@]([C@H]([C@@H](O2)C)OC/C=C/C3=CC=C(C=C3)C4=CC=CC=C4)(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/C54H84N2O12/c1-15-43-54(11,62)47(59)36(6)56(14)31-32(2)29-53(10,61)48(68-51-45(58)42(55(12)13)28-33(3)64-51)34(4)46(35(5)50(60)66-43)67-44-30-52(9,38(8)57)49(37(7)65-44)63-27-19-20-39-23-25-41(26-24-39)40-21-17-16-18-22-40/h16-26,32-37,42-49,51,58-59,61-62H,15,27-31H2,1-14H3/b20-19+/t32-,33-,34+,35-,36-,37+,42+,43-,44?,45-,46+,47-,48-,49+,51?,52+,53-,54-/m1/s1