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Chemical structure of Danshenxinkun B

GC35808

Danshenxinkun B

Also known as 1-hydroxy-8-methyl-2-propan-2-ylphenanthrene-3,4-dione

Danshenxinkun B is an antioxidative component of tanshen (Salvia miltiorhiza Bung)

ChemicalCAS65907-76-8MW280.32FormulaC18H16O3
CAS number
65907-76-8
Molecular weight
280.32
Formula
C18H16O3
Solubility
Soluble in DMSO
InChIKey
PVIJIAVGFMTLEI-UHFFFAOYSA-N
Catalogue number
GC35808
Brand
GLPBIO
Computed properties PubChem CID 5320113 · XLogP 3.6 · TPSA 54.4 Ų · H-bond donors 1
XLogP
3.6
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
21

SMILES CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)C

Computed descriptors from PubChem (CID 5320113), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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