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Chemical structure of Isoescin IA

GC36333

Isoescin IA

Also known as (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

Isoescin IA is a triterpenoid saponin isolated from the seeds of Aesculus chinensis

ChemicalCAS219944-39-5MW1131.26FormulaC55H86O24
CAS number
219944-39-5
Molecular weight
1131.26
Formula
C55H86O24
Solubility
DMSO ： 100 mg/mL (88·40 mM; Need ultrasonic)
InChIKey
YOSIWGSGLDDTHJ-IVKVKCDBSA-N
Catalogue number
GC36333
Brand
GLPBIO
Computed properties PubChem CID 6476032 · XLogP 0.1 · TPSA 388 Ų · H-bond donors 13
XLogP
0.1
TPSA
388 Ų
H-bond donors
13
H-bond acceptors
24
Rotatable bonds
16
Heavy atoms
79

SMILES C/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)COC(=O)C)O

Computed descriptors from PubChem (CID 6476032), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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