[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] 2-naphthalen-1-ylethanoate

Systemtic Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-10-methoxy-3,5,8,10,12,14-hexamethyl-3,4-bis(oxidanyl)-6,15-bis(oxidanylidene)-1-oxa-7-azacyclopentadec-13-yl] 2-naphthalen-1-ylethanoate Openeye Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] 2-(1-naphthyl)acetate CAS Name: 2-(1-naphthalenyl)acetic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] ester IUPAC Name: [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl] 2-naphthalen-1-ylacetate Traditional Name: 2-(1-naphthyl)acetic acid [(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4-dihydroxy-6,15-diketo-10-methoxy-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadec-13-yl] ester Formula: C42H64N2O11 MolecularWeight: 772.96436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=O)NC(CC(C(C(C(C(C(=O)O1)C)OC(=O)CC2=CC=CC3=CC=CC=C32)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)N[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC2=CC=CC3=CC=CC=C32)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C42H64N2O11/c1-12-32-42(8,50)36(47)27(6)38(48)43-23(2)22-41(7,51-11)37(55-40-34(46)31(44(9)10)20-24(3)52-40)25(4)35(26(5)39(49)53-32)54-33(45)21-29-18-15-17-28-16-13-14-19-30(28)29/h13-19,23-27,31-32,34-37,40,46-47,50H,12,20-22H2,1-11H3,(H,43,48)/t23-,24-,25+,26-,27-,31+,32-,34-,35+,36-,37-,40+,41-,42-/m1/s1