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Details

Stereochemistry UNKNOWN
Molecular Formula C21H22O9
Molecular Weight 418.394
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTOFUNICONE

SMILES

COC(=O)C1=CC(OC)=CC(OC)=C1C(=O)C2=COC(C[C@H](C)OC(C)=O)=CC2=O

InChI

InChIKey=VSHBHDIKPQHDHQ-NSHDSACASA-N
InChI=1S/C21H22O9/c1-11(30-12(2)22)6-14-8-17(23)16(10-29-14)20(24)19-15(21(25)28-5)7-13(26-3)9-18(19)27-4/h7-11H,6H2,1-5H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22O9
Molecular Weight 418.394
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8AQ79A74T2
Record Status Validated (UNII)
Record Version