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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O2
Molecular Weight 310.3902
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-DEACETYLDIABOLINE

SMILES

[H][C@]12C[C@@]3([H])C4=CCO[C@@H](O)[C@@]3([H])[C@]5([H])NC6=CC=CC=C6[C@]15CC[N@]2C4

InChI

InChIKey=UFUDXCDPABDFHK-SRCYXDNASA-N
InChI=1S/C19H22N2O2/c22-18-16-12-9-15-19(6-7-21(15)10-11(12)5-8-23-18)13-3-1-2-4-14(13)20-17(16)19/h1-5,12,15-18,20,22H,6-10H2/t12-,15-,16+,17-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O2
Molecular Weight 310.3902
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

PubMed

Patents

Substance Class Chemical
Record UNII
X3Q09D1K96
Record Status Validated (UNII)
Record Version