| product Name |
B-escin |
| CAS No |
11072-93-8 |
| Synonyms |
beta-Escin; Flogencyl; beta Escin; beta-Aescin; beta-Aescinu; beta-Aescinu [Czech]; beta-Aescusan; beta-Reparil; (2S,3S,4S,5R,6R)-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-1,2,3,4a,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; (5ξ,8ξ,9ξ,10ξ,16α,17ξ,18ξ,22α)-22-(acetyloxy)-16,24,28-trihydroxy-21-{[(2E)-2-methylbut-2-enoyl]oxy}olean-12-en-3-yl α-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-glucopyranosiduronic acid |
| Molecular Formula |
C55H86O24 |
| Molecular Weight |
1131.2569 |
| InChI |
InChI=1/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 |
| Molecular Structure |
|
| Density |
1.46g/cm3 |
| Boiling point |
1140.6°C at 760 mmHg |
| Refractive index |
1.627 |
| Flash point |
311.8°C |
| Vapour Pressur |
0mmHg at 25°C |
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