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Chemical structure of Wilforgine

GC37934

Wilforgine

Also known as [(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate

Wilforgine is a bioactive sesquiterpene alkaloid in Tripterygium wilfordii Hook

ChemicalCAS37239-47-7MW857.81FormulaC41H47NO19
CAS number
37239-47-7
Molecular weight
857.81
Formula
C41H47NO19
Solubility
DMSO ： 100 mg/mL (116·58 mM; ultrasonic and warming and heat to 60°C)
InChIKey
QFIYSPKZWOALMZ-YHQLYFKISA-N
Catalogue number
GC37934
Brand
GLPBIO
Computed properties PubChem CID 124030 · XLogP 1.2 · TPSA 266 Ų · H-bond donors 1
XLogP
1.2
TPSA
266 Ų
H-bond donors
1
H-bond acceptors
20
Rotatable bonds
14
Heavy atoms
61

SMILES CC1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

Computed descriptors from PubChem (CID 124030), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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