U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H22O6
Molecular Weight 394.4172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BARBIGERONE

SMILES

COC1=CC(OC)=C(C=C1OC)C2=COC3=C(C=CC4=C3C=CC(C)(C)O4)C2=O

InChI

InChIKey=OBIUGMGQVQMVSK-UHFFFAOYSA-N
InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3

HIDE SMILES / InChI

Molecular Formula C23H22O6
Molecular Weight 394.4172
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9BE3F2B4GD
Record Status Validated (UNII)
Record Version