Chemical Compound

(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-[(methoxycarbonyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-[(methoxycarbonyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid 结构式
Primary record

(1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-[(methoxycarbonyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
460634
SMILES
C[C@H](CC1=CC=CC=C1)[C@@H](C(=C)CC[C@@]23[C@@H]([C@H]([C@@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)OC)O)OC(=O)C
Canonical SMILES
C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)OC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1

名称与同义词

  • AC1LA2Q2
  • CHEMBL263760
  • SQUALESTATIN ANALOG 32
  • AIDS027729
  • BDBM50281109
  • CID460634
  • J629.708K
  • (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,7-dihydroxy-6-methoxycarbonyloxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-[(methoxycarbonyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-4,7-dihydroxy-6-methoxycarbonyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-methoxycarbonyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-4,7-Dihydroxy-1-[(4S,5R)-4-acetoxy-6-phenyl-5-methyl-3-methylenehexyl]-6-(methoxycarbonyloxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid