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Chemical structure of 8-Epiloganic acid

GC64712

8-Epiloganic acid

Also known as (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid

8-Epiloganic acid, an iridoid glucoside, can be found in Linaria cymbalaria (Scrophulariaceae)

ChemicalCAS82509-41-9MW376.36FormulaC16H24O10
CAS number
82509-41-9
Molecular weight
376.36
Formula
C16H24O10
Solubility
DMSO ： 50 mg/mL (132·85 mM; ultrasonic and warming and heat to 60°C); H2O ： 4·81 mg/mL (12·78 mM; ultrasonic and warming and adjust pH to 11 with 1 M NaOH and heat to 60°C)
InChIKey
JNNGEAWILNVFFD-OZFVSFPVSA-N
Catalogue number
GC64712
Brand
GLPBIO
Computed properties PubChem CID 158144 · XLogP -1.7 · TPSA 166 Ų · H-bond donors 6
XLogP
-1.7
TPSA
166 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
26

SMILES C[C@@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed descriptors from PubChem (CID 158144), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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