Chemical Compound

(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(3R,5S,6S,7S)-7-[(2R,3S,6R)-6-[(1R)-1-({6-[(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-[(ethylcarbamoyl)oxy]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanamido]hexa-2,4-diyn-1-yl}carbamoyl)propyl]-3-methyloxan-2-yl]-6-hydroxy-5-methyl-4-oxooctan-3-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl N-ethylcarbamate

(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(3R,5S,6S,7S)-7-[(2R,3S,6R)-6-[(1R)-1-({6-[(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-[(ethylcarbamoyl)oxy]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanamido]hexa-2,4-diyn-1-yl}carbamoyl)propyl]-3-methyloxan-2-yl]-6-hydroxy-5-methyl-4-oxooctan-3-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl N-ethylcarbamate 结构式
Primary record

(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(3R,5S,6S,7S)-7-[(2R,3S,6R)-6-[(1R)-1-({6-[(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-[(ethylcarbamoyl)oxy]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanamido]hexa-2,4-diyn-1-yl}carbamoyl)propyl]-3-methyloxan-2-yl]-6-hydroxy-5-methyl-4-oxooctan-3-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl N-ethylcarbamate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
132577039
SMILES
CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)OC(=O)NCC)C)C)O)C)C(=O)NCC#CC#CCNC(=O)[C@H](CC)[C@H]6CC[C@@H]([C@@H](O6)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]7[C@H](C[C@H]([C@]8(O7)C=C[C@H]([C@@]9(O8)CC[C@@](O9)(C)[C@H]1CC[C@@]([C@@H](O1)C)(CC)O)OC(=O)NCC)C)C)O)C
Canonical SMILES
CCNC(=O)O[C@@H]1C=C[C@]2(O[C@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]3O[C@@H]([C@@H](CC)C(=O)NCC#CC#CCNC(=O)[C@H](CC)[C@H]4CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]5O[C@]6(C=C[C@@H](OC(=O)NCC)[C@]7(CC[C@@](C)([C@H]8CC[C@](O)(CC)[C@H](C)O8)O7)O6)[C@H](C)C[C@@H]5C)O4)CC[C@@H]3C)[C@@H](C)C[C@H]2C)O[C@@]12CC[C@@](C)([C@H]1CC[C@](O)(CC)[C@H](C)O1)O2

名称与同义词

  • J3.648.974J
  • (2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-9-[(3R,5S,6S,7S)-7-[(2R,3S,6R)-6-[(1R)-1-({6-[(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-[(ethylcarbamoyl)oxy]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanamido]hexa-2,4-diyn-1-yl}carbamoyl)propyl]-3-methyloxan-2-yl]-6-hydroxy-5-methyl-4-oxooctan-3-yl]-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-15-yl N-ethylcarbamate
  • 2,2 -[(2,4-Hexadiyne-1,6-diyl)bis(iminocarbonyl)]bis[2-decarboxy-20-deoxy-20-[(ethylcarbamoyl)oxy]salinomycin]