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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O6
Molecular Weight 302.2788
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUNBERGINOL E

SMILES

COC1=C(O)C=C(C=C1)[C@H]2CC3=CC(O)=CC(O)=C3C(=O)O2

InChI

InChIKey=MZKMQBPFGDJUFV-CQSZACIVSA-N
InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H14O6
Molecular Weight 302.2788
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
77N5TN6EJP
Record Status Validated (UNII)
Record Version