Lepenine
Basic information
- CAS
111524-32-4- Standard SMILES
C=C1[C@@H](O)C23CC[C@@H]1[C@H](O)[C@H]2C12[C@@H](O)CCC4(C)CN(CC)[C@@H]1[C@H]3C[C@@H]42- InChIKey
DHFGSUNKOXDUNF-CKBHOQPOSA-N- Molecular formula
- C22H33NO3
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.24604391
Overview
structure given in first source; isolated from the root of Aconitum psedohuiliense
Names & identifiers
- Preferred name
- Lepenine
- IUPAC
- (2S,8R,9S,11R,13S,14S,15R,16S)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol
Names & synonyms
Lepenine7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, (1alpha,11beta,15beta)-111524-32-4RefChem:152793
Database identifiers
- CAS
111524-32-4- PubChem CID
- 194909
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 695
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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