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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N2O3
Molecular Weight 351.4189
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 1

SHOW SMILES / InChI
Structure of 4,21-DEHYDROGEISSOSCHIZINE

SMILES

[H][C@@]12C[C@H](\C(=C\O)C(=O)OC)\C(=C/C)C=[N+]1CCC3=C2NC4=CC=CC=C34

InChI

InChIKey=CUHFIPBCFIPFJM-JXSBNBLESA-O
InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H23N2O3
Molecular Weight 351.4189
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z3D2Q8C832
Record Status Validated (UNII)
Record Version