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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

6805-41-0Aescin Working Standard (Secondary Reference Standard)

● Under Development

Catalogue No.:	VE0028607
CAS No.:	6805-41-0
Mol. Formula:	C55H86O24
Mol. Weight:	1131.27 g/mol

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Additional information on CAS 6805-41-0

Parent drug

Aescin

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

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

O=C(C)O[C@@H]1[C@]2(CO)[C@H](O)C[C@@]3(C)[C@]4(C)CCC5[C@](CO)(C)[C@@H](OC6O[C@H](C(O)=O)[C@@H](O[C@@H]([C@@H]7O)O[C@H](CO)[C@H](C7O)O)[C@@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@H](C([C@H]8O)O)O)CC[C@]5(C)C4CC=C3C2CC(C)(C)[C@H]1OC(/C(C)=C/C)=O

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