GHS
GHS Classification Search
Arthrinone
CAS Number: 162112-39-2
IUPAC name: (1R,9R,10S,13R)-4,9,13-trihydroxy-6-methoxy-12,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradeca-3(8),4,6-trien-2-one
Molecular formula: C13H12O7
Molecular weight: 280.23
InChI: InChI=1S/C13H12O7/c1-18-5-2-6-8(7(14)3-5)10(16)13-11(17)19-4-12(13,20-13)9(6)15/h2-3,9,11,14-15,17H,4H2,1H3/t9-,11-,12+,13+/m1/s1
InChIKey: OACKXIAQYYDGIK-XEZLXBQYSA-N
SMILES: COC1=CC2=C(C(=C1)O)C(=O)[C@]34[C@@H](OC[C@@]3([C@@H]2O)O4)O
EINECS: -
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