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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18O6
Molecular Weight 342.3426
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATROVENETIN, (S)-

SMILES

C[C@@H]1OC2=C3C(C)=CC(O)=C4C(=O)C(O)=C(O)C(C(O)=C2C1(C)C)=C34

InChI

InChIKey=LPHKSTXIALHGQT-ZETCQYMHSA-N
InChI=1S/C19H18O6/c1-6-5-8(20)10-11-9(6)18-13(19(3,4)7(2)25-18)14(21)12(11)16(23)17(24)15(10)22/h5,7,20-21,23-24H,1-4H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H18O6
Molecular Weight 342.3426
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
7940H38SOS
Record Status Validated (UNII)
Record Version