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Chemical structure of Duclauxin

GC18992

Duclauxin

Also known as (9,19-dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8,10,12(26),16(25),17,19-heptaen-24-yl) acetate

Duclauxin decreases proliferation of tumor cells in vitro and increases the lifespan of mice innoculated with Ehrlich ascitic tumor cells

ChemicalCAS1732-37-2MW546.5FormulaC29H22O11
CAS number
1732-37-2
Molecular weight
546.5
Formula
C29H22O11
Solubility
DMF： soluble,DMSO： soluble,Ethanol： soluble,Methanol： soluble
InChIKey
WBQDAYWQELBEPU-UHFFFAOYSA-N
Catalogue number
GC18992
Brand
GLPBIO
Computed properties PubChem CID 5377538 · XLogP 2.4 · TPSA 163 Ų · H-bond donors 2
XLogP
2.4
TPSA
163 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
3
Heavy atoms
40

SMILES CC1=CC(=C2C3=C1C(=O)C4C(C3(COC2=O)C5C4(C6=C7C(=COC(=O)C7=C(C=C6C)O)C5=O)OC)OC(=O)C)O

Computed descriptors from PubChem (CID 5377538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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