CAS No 66795-86-6 , α

Name: α
Synonyms: (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;alpha-Aescin;alpha-Escin;CCRIS 7308;alpha-Reparil;αalpha-Aescusan;BA 2672;-Escin;
CAS Registry Number:66795-86-6
Safety Statements: Poison by ingestion and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESCIN; β-ESCIN; ESCIN, SODIUM SALT; ESCIN TRIETHANOLAMINE SALT.
EINECS: 266-482-1
Molecular Weight: 2262.51388
InChI: InChI=1/2C55H86O24/c2*1-10-23(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/h2*10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+;23-10-/t2*26?,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+/m11/s1
Molecular Formula: C₁₁₀H₁₇₂O₄₈
Molecular Structure:

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