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Chemical structure of Hirsuteine

GC36228

Hirsuteine

Also known as methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Hirsuteine is an indole alkaloid extracted from Uncaria genus

ChemicalCAS35467-43-7MW366.45FormulaC22H26N2O3
CAS number
35467-43-7
Molecular weight
366.45
Formula
C22H26N2O3
Solubility
DMSO ： 100 mg/mL (272·89 mM; Need ultrasonic)
InChIKey
TZUGIFAYWNNSAO-AZQGJTAVSA-N
Catalogue number
GC36228
Brand
GLPBIO
Computed properties PubChem CID 3037151 · XLogP 3.2 · TPSA 54.6 Ų · H-bond donors 1
XLogP
3.2
TPSA
54.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

SMILES CO/C=C(\[C@H]1C[C@@H]2C3=C(CCN2C[C@@H]1C=C)C4=CC=CC=C4N3)/C(=O)OC

Computed descriptors from PubChem (CID 3037151), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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