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Chemical structure of Thalrugosaminine

GC39045

Thalrugosaminine

Also known as (1S,15S)-6,20,21,22,26-pentamethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19(34),20,22,25,27,32-dodecaene

Thalrugosaminine is a benzylisoquinoline alkaloid isolated from the roots of Thalictrum minus

ChemicalCAS22226-73-9MW652.78FormulaC39H44N2O7
CAS number
22226-73-9
Molecular weight
652.78
Formula
C39H44N2O7
Solubility
Soluble in DMSO
InChIKey
HOKJTANZNWKSDE-KYJUHHDHSA-N
Catalogue number
GC39045
Brand
GLPBIO
Computed properties PubChem CID 100258 · XLogP 6.6 · TPSA 71.1 Ų · H-bond donors 0
XLogP
6.6
TPSA
71.1 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
48

SMILES CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC

Computed descriptors from PubChem (CID 100258), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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