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Details

Stereochemistry ACHIRAL
Molecular Formula C22H20O5
Molecular Weight 364.3912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ASPULVINONE I

SMILES

CC(C)=CCC1=C(O)C=CC(\C=C2/OC(=O)C(=C2O)C3=CC=C(O)C=C3)=C1

InChI

InChIKey=QCTHCQWZIGYTPK-UNOMPAQXSA-N
InChI=1S/C22H20O5/c1-13(2)3-5-16-11-14(4-10-18(16)24)12-19-21(25)20(22(26)27-19)15-6-8-17(23)9-7-15/h3-4,6-12,23-25H,5H2,1-2H3/b19-12-

HIDE SMILES / InChI

Molecular Formula C22H20O5
Molecular Weight 364.3912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
5SN8YNA55X
Record Status Validated (UNII)
Record Version