Names and Identifiers

• • alpha-Escin
  • BA 2672
  • CCRIS 7308
  • alpha-Aescin
  • alpha-Aescusan
  • alpha-Reparil
  • (2S,3S,4S,5R,6R)-6-[[(3R,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-carboxylic acid
  • &#x3B1
  • -Escin
  • α-Aescin
  • α-Escin
  • +expand
• • Inchi： 1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/t26-,27+,28+,29+,30+,31+,32+,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1
  • InChI Key： AXNVHPCVMSNXNP-FPFZDEADSA-N
  • SMILES： O([H])[C@]1([H])C([H])([H])[C@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@](C([H])([H])[H])(C([H])([H])O[H])[C@]4([H])C([H])([H])C([H])([H])[C@]32C([H])([H])[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O[H])O2)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])O[H])O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C([H])([H])O[H])O2)O[H])O[H])O[H])[C@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])([C@@]([H])([C@@]21C([H])([H])O[H])OC(C([H])([H])[H])=O)OC(C(=C([H])C([H])([H])[H])C([H])([H])[H])=O

Experimental Properties