Basic information
- CAS
65967-20-6- Standard SMILES
CCN1CC2(CO)CCC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14- InChIKey
DKODPYKVVJKLFU-UHFFFAOYSA-N- Molecular formula
- C24H39NO7
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.27265258
Overview
Gigactonine has been reported in Delphinium speciosum, Consolida orientalis, and other organisms with data available.
Names & identifiers
- Preferred name
- Paniculine
- IUPAC
- 11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
Names & synonyms
PaniculineRefChem:16987861328-14-165967-20-6Paniculine (Consolida)Oprea1_135784Oprea1_818531SCHEMBL30637386BAS 01832198Q15411016Aconitane-1,7,8-triol, 20-ethyl-4-(hydroxymethyl)-6,14,16-trimethoxy-, (1alpha,6beta,14alpha,16beta)-
Database identifiers
- CAS
65967-20-6- PubChem CID
- 181763
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 798
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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