Basic information
- CAS
41478-10-8- Standard SMILES
CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(O)(C5C6O)C(C(O)C23)C14- InChIKey
NETPSJUPEOQHLK-UHFFFAOYSA-N- Molecular formula
- C22H35NO5
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.25152322
Names & identifiers
- Preferred name
- Bicolorine
- IUPAC
- 11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16,18-tetrol
Names & synonyms
41478-10-8BicolorineBicolorine (Delphinium)SCHEMBL30356996DTXSID2096174520-Ethyl-16-methoxy-4-methylaconitane-1,6,8,14-tetrol
Database identifiers
- CAS
41478-10-8- PubChem CID
- 181701
- DTXSID
DTXSID20961745
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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