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Chemical structure of Digitolutein

GC70509

Digitolutein

Also known as 2-hydroxy-1-methoxy-3-methylanthracene-9,10-dione

Digitolutein is a natural product that can be isolated from the stem bark and the roots of Morinda lucida Benth

ChemicalCAS477-86-1MW268.26FormulaC16H12O4
CAS number
477-86-1
Molecular weight
268.26
Formula
C16H12O4
Solubility
Ethanol ： 30 mg/mL (111·83 mM; Need ultrasonic and warming)
InChIKey
WCRMDMYSQWZTSF-UHFFFAOYSA-N
Catalogue number
GC70509
Brand
GLPBIO
Computed properties PubChem CID 160475 · XLogP 2.8 · TPSA 63.6 Ų · H-bond donors 1
XLogP
2.8
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20

SMILES CC1=CC2=C(C(=C1O)OC)C(=O)C3=CC=CC=C3C2=O

Computed descriptors from PubChem (CID 160475), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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