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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24O6
Molecular Weight 372.4117
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTIGENIN

SMILES

COC1=CC=C(C[C@H]2COC(=O)[C@@H]2CC3=CC(OC)=C(O)C=C3)C=C1OC

InChI

InChIKey=NQWVSMVXKMHKTF-JKSUJKDBSA-N
InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H24O6
Molecular Weight 372.4117
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
U76MR9VS6M
Record Status Validated (UNII)
Record Version