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Chemical structure of Tanshinone IIB

GC71915

Tanshinone IIB

Also known as (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

Tanshinone IIB is a major active constituent of the roots of Salvia miltiorrhiza (Danshen) widely used for the research of stroke and coronary heart disease in Asian countries

ChemicalCAS17397-93-2MW310.34FormulaC19H18O4
CAS number
17397-93-2
Molecular weight
310.34
Formula
C19H18O4
Solubility
Methanol ： 0·5 mg/mL (1·61 mM; Need ultrasonic and warming)
InChIKey
XDUXBBDRILEIEZ-LJQANCHMSA-N
Catalogue number
GC71915
Brand
GLPBIO
Computed properties PubChem CID 9926694 · XLogP 2.9 · TPSA 67.5 Ų · H-bond donors 1
XLogP
2.9
TPSA
67.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23

SMILES CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC[C@]4(C)CO

Computed descriptors from PubChem (CID 9926694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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