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Chemical structure of Dimethyl lithospermate B

GC38484

Dimethyl lithospermate B

Also known as [(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate

Dimethyl lithospermate B (dmLSB) is a selective Na+ channel agonist

ChemicalCAS875313-64-7MW746.67FormulaC38H34O16
CAS number
875313-64-7
Molecular weight
746.67
Formula
C38H34O16
Solubility
DMSO ： 100 mg/mL (133·93 mM; Need ultrasonic)
InChIKey
DHYLGBJCEGEBGQ-QHIXFNMVSA-N
Catalogue number
GC38484
Brand
GLPBIO
Computed properties PubChem CID 11422787 · XLogP 4.6 · TPSA 256 Ų · H-bond donors 7
XLogP
4.6
TPSA
256 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
16
Heavy atoms
54

SMILES COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=C3[C@@H]([C@H](OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)O[C@H](CC5=CC(=C(C=C5)O)O)C(=O)OC

Computed descriptors from PubChem (CID 11422787), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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