3,6-Diacetoxytropane
AlkaPlorer ID: AK000752
Synonym: None
IUPAC Name: [(1S,5R)-6-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
Structure
SMILES: CC(=O)OC1C[C@H]2CC([C@@H](C1)N2C)OC(=O)C
InChI: InChI=1S/C12H19NO4/c1-7(14)16-10-4-9-5-12(17-8(2)15)11(6-10)13(9)3/h9-12H,4-6H2,1-3H3/t9-,10?,11+,12?/m0/s1
InChIKey: ZBNGGJNWFWYOJK-UZEXVOJHSA-N
Reference
Nine new tropane alkaloids from Datura stramonium L. identified by GC/MS
PubChem CID: 129846182
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Datura stramonium | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Datura inoxia | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Datura ceratocaula | Datura | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 241.28699999999998
TPSA？: 55.839999999999996
MolLogP？: 0.7163000000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|