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Chemical structure of Schiarisanrin A

GC71950

Schiarisanrin A

Also known as [(1S,12R,13R,14R)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] (2S)-2-methylbutanoate

Schiarisanrin A (Kadsulignan J) is a lignan with inhibitory activity on NO production

ChemicalCAS130252-41-4MW484.54FormulaC27H32O8
CAS number
130252-41-4
Molecular weight
484.54
Formula
C27H32O8
InChIKey
JHTGXHCLRHKLER-ZPNZURAVSA-N
Catalogue number
GC71950
Brand
GLPBIO
Computed properties PubChem CID 145709656 · XLogP 4.3 · TPSA 89.5 Ų · H-bond donors 0
XLogP
4.3
TPSA
89.5 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

SMILES CC[C@H](C)C(=O)O[C@@H]1[C@@H]([C@@H](CC2=CC(=C(C(=O)[C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C

Computed descriptors from PubChem (CID 145709656), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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