Products 26339-90-2

CAS 26339-90-2 appears in our catalog under these names: Escin IB, Escin IB, Escin IB/ 99.09% (existing batch purity), Escin IB (Standard), Escin IB, 99.93%. Offered by: Chemat Brand, GLPBio, TargetMol, Biosynth, MedChemExpress. Available pack sizes: on request, 20mg, 1mg, 5mg, 10mg, 25mg, 50mg, Get quote.

Escin IB
Chemat Brand, Biosynth
  • size: on request, 10mg, 5mg, 25mg
  • Variants: 5
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Escin IB
GLPBio
  • size: 20mg
  • Variants: 1
from 2052.68
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Escin IB/ 99.09% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 598.57
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Escin IB (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Escin IB, 99.93%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg, 10mM/1mL
  • Variants: 4
from 505.45
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Structural formula: {0} (CAS {1})

Aescin is a triterpenoid saponin.

Source: ChEBI

Identity
Molecular formulaC55H86O24
Molecular weight1131.3 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-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)oxan-2-yl]oxy]oxane-2-carboxylic acid
InChIKeyAXNVHPCVMSNXNP-OXPBSUTMSA-N
SMILESC/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: escin Ib, AESCIN IB(SH), beta-Escin, beta-Aescin, Aescin IB, Aescin B, .beta.-Escin, escine Ib, escin-Ib, EscinIB
Related forms of this compound
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-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)oxan-2-yl]oxy]oxane-2-carboxylic acid C55H86O24
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(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)oxan-2-yl]oxy]oxane-2-carboxylic acid C55H86O24
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(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)oxan-2-yl]oxy]oxane-2-carboxylic acid C55H86O24