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Chemical structure of Chebulinic acid

GC32250

Chebulinic acid

Also known as 2-[13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid

An ellagitannin with diverse biological activities

ChemicalCAS18942-26-2MW956.68FormulaC41H32O27
CAS number
18942-26-2
Molecular weight
956.68
Formula
C41H32O27
Solubility
DMSO : 100 mg/mL (104·53 mM; ultrasonic and warming and heat to 60°C)
InChIKey
YGVHOSGNOYKRIH-UHFFFAOYSA-N
Catalogue number
GC32250
Brand
GLPBIO
Computed properties PubChem CID 250396 · XLogP 0.7 · TPSA 447 Ų · H-bond donors 13
XLogP
0.7
TPSA
447 Ų
H-bond donors
13
H-bond acceptors
27
Rotatable bonds
12
Heavy atoms
68

SMILES C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O

Computed descriptors from PubChem (CID 250396), 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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Documents
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