Chemical Compound

(1S,2S,18R,19R,22R,34R,37R,40S)-2-[(2R,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(1-hydroxydecylideneamino)oxan-2-yl]oxy-5,15,32,43,65-pentachloro-18,21,26,31,35,38,47,49,54,56,59-undecahydroxy-22-(methylamino)-44,64-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

CAS Registry Number 137053-19-1
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(1S,2S,18R,19R,22R,34R,37R,40S)-2-[(2R,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(1-hydroxydecylideneamino)oxan-2-yl]oxy-5,15,32,43,65-pentachloro-18,21,26,31,35,38,47,49,54,56,59-undecahydroxy-22-(methylamino)-44,64-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid 结构式
Primary record

(1S,2S,18R,19R,22R,34R,37R,40S)-2-[(2R,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(1-hydroxydecylideneamino)oxan-2-yl]oxy-5,15,32,43,65-pentachloro-18,21,26,31,35,38,47,49,54,56,59-undecahydroxy-22-(methylamino)-44,64-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid

库存
3,133 克
纯度
98.1 %
CAS
137053-19-1

化合物标识与属性

CAS
137053-19-1
PubChem CID
139588915
SMILES
CCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H]3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C(=CC(=C5)[C@@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8Cl)Cl)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)OC1=C(C=C(C=C1)[C@H]([C@@H]1C(=O)N[C@H](C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N1)NC)O)O)Cl)C(=O)N6)O)Cl)Cl)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)C(=O)O)C(=O)O)O)O
Canonical SMILES
CCCCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2c3cc(Cl)c(c(Cl)c3)Oc3cc4cc(c3O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)Oc3ccc(cc3Cl)[C@@H](O)[C@H]3NC(=O)[C@H](NC)c5ccc(O)c(c5)Oc5cc(O)c(Cl)c(c5)[C@@H](NC3=O)C(=O)N[C@H]4C(=O)N[C@@H]3C(=O)N[C@@H]2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3cc(Cl)c2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O

名称与同义词

  • RefChem:926005
  • CHEBI:221405
  • MM 55268
  • MM-55268
  • (1S,2S,18R,19R,22R,34R,37R,40S)-2-((2R,3R,4R,5S,6S)-6-carboxy-3-(decanoylamino)-4,5-dihydroxyoxan-2-yl)oxy-5,15,32,43,65-pentachloro-18,26,31,47,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-44,64-bis(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo(38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51)hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid
  • (1S,2S,18R,19R,22R,34R,37R,40S)-2-[(2R,3R,4R,5S,6S)-6-carboxy-4,5-dihydroxy-3-(1-hydroxydecylideneamino)oxan-2-yl]oxy-5,15,32,43,65-pentachloro-18,21,26,31,35,38,47,49,54,56,59-undecahydroxy-22-(methylamino)-44,64-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,20,23(61),24,26,29(60),30,32,35,38,41(57),42,44,46(51),47,49,53,55,58,62,65-heptacosaene-52-carboxylic acid
  • 137053-19-1