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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22O5
Molecular Weight 306.3536
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTENULIN

SMILES

[H][C@]12C[C@@H](C)C3C=CC(=O)[C@@]3(C)[C@H](OC(C)=O)[C@]1([H])[C@@H](C)C(=O)O2

InChI

InChIKey=NEIIKBWBBCJSQU-DGIONXRUSA-N
InChI=1S/C17H22O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8-9,11-12,14-15H,7H2,1-4H3/t8-,9-,11?,12+,14-,15-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H22O5
Molecular Weight 306.3536
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
MPG8EK9VMN
Record Status Validated (UNII)
Record Version