Chemical Compound

[(3s,4s)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid

CAS Registry Number 18942-26-2
[(3s,4s)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid 结构式
Primary record

[(3s,4s)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid

库存
8,279 克
纯度
98.8 %
CAS
18942-26-2

化合物标识与属性

CAS
18942-26-2
PubChem CID
367138
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Canonical SMILES
O=C(O)C[C@@H]1C(=O)OC2C(COC(=O)c3cc(O)c(O)c(O)c3)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c3cc(O)c(O)c4c3C1[C@H](O)C(=O)O4)C2OC(=O)c1cc(O)c(O)c(O)c1

名称与同义词

  • Chebulinic acid
  • AC1L7UAJ
  • NSC636589
  • KST-1A2348
  • AR-1A8341
  • C41H32O27
  • CID367138
  • NSC 69862
  • NSC-636589
  • C41-H32-O27
  • [(3s,4s)-3,15,16-trihydroxy-2,5,13-trioxo-10,17-bis[(3,4,5-trihydroxybenzoyl)oxy]-8-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl]acetic acid
  • 18942-26-2
  • 190-39-6
  • 2-[(11S,13S)-13,17,18-Trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid