Chemical Compound

(1'R,2R,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one

CAS Registry Number 70209-81-3
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(1'R,2R,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one 结构式
Primary record

(1'R,2R,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one

库存
6,766 克
纯度
98.7 %
CAS
70209-81-3

化合物标识与属性

CAS
70209-81-3
PubChem CID
146050381
SMILES
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(\[C@H]([C@H](/C=C\C=C4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)/C)O[C@@H]1C(C)C
Canonical SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C\C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=C/C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O

名称与同义词

  • IvermectinB1b
  • Ivermectin B1b
  • IvermectinH2B1b
  • dihydroavermectin B1b
  • 22,23-dihydroavermectin B1b
  • AKOS040756020
  • J122.685A
  • 70209-81-3
  • 22,23-Dihydro-34-nor-5-O-demethylavermectin A1a
  • 5-O-Demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-avermectin A1a
  • 22,23-Dihydro-5-O-demethyl-25-de(1-methylpropyl)-25-isopropylavermectin A1a
  • 5-O-DEMETHYL-25-DE(1-METHYLPROPYL)-22,23-DIHYDRO-25-(1-METHYLETHYL)AVERMECTIN A1A
  • (1'R,2R,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one