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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18O6
Molecular Weight 342.3426
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SOLANACOL

SMILES

[H][C@@]12OC(=O)\C(=C\O[C@@H]3OC(=O)C(C)=C3)[C@]1([H])[C@@H](O)C4=CC=C(C)C(C)=C24

InChI

InChIKey=LFVSQVHIKFDYFI-ISGZTCCGSA-N
InChI=1S/C19H18O6/c1-8-4-5-11-14(10(8)3)17-15(16(11)20)12(19(22)25-17)7-23-13-6-9(2)18(21)24-13/h4-7,13,15-17,20H,1-3H3/b12-7+/t13-,15-,16+,17+/m1/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 4 / 4
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
8870D88Y8M
Record Status Validated (UNII)
Record Version