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Chemical structure of (+-)-Sinactine

GC39098

(+-)-Sinactine

Also listed as Tetrahydroepiberberine

Tetrahydroepiberberine is a isoquinoline alkaloid isolated from Corydalis impatiens (Pall)

ChemicalCAS38853-67-7MW339.39FormulaC20H21NO4
CAS number
38853-67-7
Molecular weight
339.39
Formula
C20H21NO4
Solubility
DMSO ： 20·83 mg/mL (61·37 mM; ultrasonic and warming and heat to 80°C)
InChIKey
UWEHVAXMSWXKRW-UHFFFAOYSA-N
Catalogue number
GC39098
Brand
GLPBIO
Computed properties PubChem CID 5321317 · XLogP 3.1 · TPSA 40.2 Ų · H-bond donors 0
XLogP
3.1
TPSA
40.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

SMILES COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C5=C(C=C4)OCO5)OC

Computed descriptors from PubChem (CID 5321317), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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