[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2-oxidanylidene-10-(1-propan-2-yloxycyclohexyl)oxyimino-1-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-2-oxidanylidene-10-(1-propan-2-yloxycyclohexyl)oxyimino-1-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-(1-isopropoxycyclohexoxy)imino-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[[(2R,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(1-propan-2-yloxycyclohexyl)oxyimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(1-propan-2-yloxycyclohexyl)oxyimino-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-[(2R,4R,5S,6S)-5-acetoxy-4-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-(1-isopropoxycyclohexyl)oximino-2-keto-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C50H88N2O16 MolecularWeight: 973.23752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOC2(CCCCC2)OC(C)C)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)C)(C)O)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)OC)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N\OC2(CCCCC2)OC(C)C)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)C)(C)O)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)(C)OC)C)C)O)(C)O

InChI

InChI=1S/C50H88N2O16/c1-18-37-49(14,58)42(55)30(6)39(51-68-50(67-27(2)3)22-20-19-21-23-50)28(4)25-48(13,59-17)43(66-46-41(62-34(10)53)36(52(15)16)24-29(5)60-46)31(7)40(32(8)45(56)64-37)65-38-26-47(12,57)44(33(9)61-38)63-35(11)54/h27-33,36-38,40-44,46,55,57-58H,18-26H2,1-17H3/b51-39-/t28-,29-,30+,31+,32-,33+,36+,37-,38+,40+,41-,42-,43-,44+,46+,47-,48-,49-/m1/s1