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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO5
Molecular Weight 319.3523
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANISODINE

SMILES

CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@@](O)(CO)C4=CC=CC=C4

InChI

InChIKey=JEJREKXHLFEVHN-VJDHNPKBSA-N
InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11-,12-,13+,14-,15+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO5
Molecular Weight 319.3523
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z75256J75J
Record Status Validated (UNII)
Record Version