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Chemical structure of Isoescin Ie

GC60945

Isoescin Ie

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]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

Isoescin Ie is a derivative of Aescine in Aesculi Semen extract

ChemicalCAS1613506-28-7MW969.12FormulaC49H76O19
CAS number
1613506-28-7
Molecular weight
969.12
Formula
C49H76O19
InChIKey
WZAAXYBBKLYKDH-SDDXPSMISA-N
Catalogue number
GC60945
Brand
GLPBIO
Computed properties PubChem CID 162642260 · XLogP 2.3 · TPSA 309 Ų · H-bond donors 10
XLogP
2.3
TPSA
309 Ų
H-bond donors
10
H-bond acceptors
19
Rotatable bonds
13
Heavy atoms
68

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)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)COC(=O)C)O

Computed descriptors from PubChem (CID 162642260), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.