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Chemical structure of Zaragozic Acid A

GC12351

Zaragozic Acid A

Also known as (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-6-[(E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid

rat liver squalene synthase inhibitor

ChemicalCAS142561-96-4MW690.73FormulaC35H46O14
CAS number
142561-96-4
Molecular weight
690.73
Formula
C35H46O14
Solubility
H2O ： 1 mg/mL (1·45 mM; Need ultrasonic and warming)
InChIKey
DFKDOZMCHOGOBR-NCSQYGPNSA-N
Catalogue number
GC12351
Brand
GLPBIO
Computed properties PubChem CID 6438355 · XLogP 4.9 · TPSA 223 Ų · H-bond donors 5
XLogP
4.9
TPSA
223 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
19
Heavy atoms
49

SMILES CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O

Computed descriptors from PubChem (CID 6438355), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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