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Chemical structure of Chrysoobtusin

GC60705

Chrysoobtusin

Also known as 2-hydroxy-1,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione

Chrysoobtusin is an anthraquinone derivative isolated from Semen Cassiae

ChemicalCAS70588-06-6MW358.34FormulaC19H18O7
CAS number
70588-06-6
Molecular weight
358.34
Formula
C19H18O7
Solubility
DMSO ： 20 mg/mL (55·81 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZMDXTRSTKHTSCE-UHFFFAOYSA-N
Catalogue number
GC60705
Brand
GLPBIO
Computed properties PubChem CID 155381 · XLogP 2.8 · TPSA 91.3 Ų · H-bond donors 1
XLogP
2.8
TPSA
91.3 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

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

Computed descriptors from PubChem (CID 155381), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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