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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O3
Molecular Weight 350.411
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of VOMILENINE

SMILES

[H][C@]12[C@@H]3C[C@]4([C@@H]1OC(C)=O)C(=NC5=C4C=CC=C5)[C@]6([H])C[C@H]2\C(=C/C)[C@@H](O)N36

InChI

InChIKey=BERYBAUEDCRDKM-FKFYEQBHSA-N
InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15-,16-,17-,19+,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22N2O3
Molecular Weight 350.411
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
C9L2GUG8W2
Record Status Validated (UNII)
Record Version