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

Details

Stereochemistry RACEMIC
Molecular Formula C15H12O5
Molecular Weight 272.2528
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUNBERGINOL C

SMILES

OC1=CC=C(C=C1)C2CC3=CC(O)=CC(O)=C3C(=O)O2

InChI

InChIKey=WMAITHDYVBQITD-UHFFFAOYSA-N
InChI=1S/C15H12O5/c16-10-3-1-8(2-4-10)13-6-9-5-11(17)7-12(18)14(9)15(19)20-13/h1-5,7,13,16-18H,6H2

HIDE SMILES / InChI

Molecular Formula C15H12O5
Molecular Weight 272.2528
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
X3P5X86ZBF
Record Status Validated (UNII)
Record Version