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Chemical structure of Przewalskinic acid A

GC37021

Przewalskinic acid A

Also known as (2R,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid

Przewalskinic acid A is a phenolic acid found in the Salvia przewalskii Maxim herb

ChemicalCAS136112-75-9MW358.3FormulaC18H14O8
CAS number
136112-75-9
Molecular weight
358.3
Formula
C18H14O8
Solubility
DMSO : 100 mg/mL (279·10 mM; Need ultrasonic)
InChIKey
GJHXGOBGPWPCCK-DBLORFJXSA-N
Catalogue number
GC37021
Brand
GLPBIO
Computed properties PubChem CID 9975641 · XLogP 1.6 · TPSA 145 Ų · H-bond donors 5
XLogP
1.6
TPSA
145 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
26

SMILES C1=CC(=C(C=C1[C@H]2[C@@H](C3=C(C=CC(=C3O2)O)/C=C/C(=O)O)C(=O)O)O)O

Computed descriptors from PubChem (CID 9975641), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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