Escin (mixture of natural saponins, Technical Grade)
Product Specifications
Synonyms
3-(4-O-β-D-glucopyranosyl-2-O-β-D-xylopyranosyl-β-D-glucopyranuronoside)escigenin 3-Hydroxy-2-methylbutyrate Acetate; 3,5-Epoxypicene, escin deriv.; Oleanane Escin deriv.; Aescin; Aescine; Aescusan; Ba 2672; Escusan; Eskuzan; Flebostasin Retard
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
O[C@@H]1C[C@@]2(C)[C@]3(C)CCC4[C@](CO)(C)[C@@H](OC5O[C@H](C(O)=O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]4(C)C3CC=C2C8[C@]1(CO)[C@@H](OC(C)=O)[C@H](OC(/C(C)=C/C)=O)C(C)(C)C8
Molecular Formula
C55H86O24
Molecular Weight
1131.27
InChI
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)/b23-10+/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+/m1/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R)-6-(((3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-(((E)-2-methylbut-2-enoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4-hydroxy-3,5-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
CAS Number
6805-41-0
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