PFAS
全球PFAS筛查数据库
克拉霉素杂质 E(6-((4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-ethyl-13-hydroxy-4-((5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-7,12-dimethoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione)
(3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-13-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-7,12-dimethoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
CAS号: 81103-14-2
IUPAC名称: (3R,4R,5R,6S,7R,9S,11R,12R,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7,12-dimethoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
分子式: C39H71NO13
分子量: 761.980
InChI: InChI=1S/C39H71NO13/c1-16-27-39(10,45)34(46-13)22(4)29(41)20(2)18-38(9,48-15)33(53-36-30(42)26(40(11)12)17-21(3)49-36)23(5)31(24(6)35(44)51-27)52-28-19-37(8,47-14)32(43)25(7)50-28/h20-28,30-34,36,42-43,45H,16-19H2,1-15H3/t20-,21+,22-,23+,24+,25-,26-,27-,28-,30+,31+,32-,33-,34+,36-,37+,38+,39?/m0/s1
InChIKey: DWRKNXHSSDFLOJ-MQXKPBBZSA-N
SMILES: CC[C@H]1C([C@@H]([C@H](C(=O)[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)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)OC)(C)O
EINECS: -
