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Chemical structure of Strictinin

GC75190

Strictinin

Also known as [(10S,11R,12R,13S,15R)-3,4,5,11,12,21,22,23-octahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl] 3,4,5-trihydroxybenzoate

Strictinin is a phenolic compound isolated from Pu'er teas

ChemicalCAS517-46-4MW634.45FormulaC27H22O18
CAS number
517-46-4
Molecular weight
634.45
Formula
C27H22O18
Solubility
H2O: 50 mg/mL (78·81 mM; Need ultrasonic)
InChIKey
FYIJLTSMNXUNLT-CXQFPWCTSA-N
Catalogue number
GC75190
Brand
GLPBIO
Computed properties PubChem CID 73330 · XLogP 0.1 · TPSA 311 Ų · H-bond donors 11
XLogP
0.1
TPSA
311 Ų
H-bond donors
11
H-bond acceptors
18
Rotatable bonds
3
Heavy atoms
45

SMILES C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O

Computed descriptors from PubChem (CID 73330), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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