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Chemical structure of Salvianolic acid E

GC60333

Salvianolic acid E

Also known as (2R)-2-[(E)-3-[2-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid

Salvianolic acid E is a natural compound isolated from Salvia miltiorrhiza

ChemicalCAS142998-46-7MW718.61FormulaC36H30O16
CAS number
142998-46-7
Molecular weight
718.61
Formula
C36H30O16
InChIKey
SOXUSBQFIOBYJU-VPIXDIMLSA-N
Catalogue number
GC60333
Brand
GLPBIO
Computed properties PubChem CID 86278266 · XLogP 4.4 · TPSA 289 Ų · H-bond donors 10
XLogP
4.4
TPSA
289 Ų
H-bond donors
10
H-bond acceptors
16
Rotatable bonds
15
Heavy atoms
52

SMILES C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O[C@H](CC4=CC(=C(C=C4)O)O)C(=O)O)O)O

Computed descriptors from PubChem (CID 86278266), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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