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anemonin Structure

anemonin

Chemical Properties

Melting point 157-158℃
Boiling point 248.14°C (rough estimate)
Density  1.45
refractive index  1.4440 (estimate)
solubility  Insoluble Diethyl ether
InChI InChI=1/C10H8O4/c11-7-1-3-9(13-7)5-6-10(9)4-2-8(12)14-10/h1-4H,5-6H2/t9-,10-/s3
InChIKey JLUQTCXCAFSSLD-DPIMBTEZNA-N
SMILES O1[C@]2(CC[C@]32C=CC(=O)O3)C=CC1=O |&1:1,4,r|

Safety Information

Toxicity LD50 i.p. in mice: 150 mg/kg (Brodersen, Kjaer)

Usage And Synthesis

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