Diploceline
Basic information
- CAS
69306-89-4- Standard SMILES
C/C=C1/C[N+]2(C)CCc3c([nH]c4ccccc34)C2CC1C(CO)C(=O)OC- InChIKey
MOOPNKBUQLUWAB-CPSFFCFKSA-N- Molecular formula
- C22H29N2O3+
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.21781779
Overview
from Strychnos gossweileri; RN given refers to (4alpha,19E)-isomer; RN for cpd without isomeric designation not avail 11/92
Names & identifiers
- Preferred name
- Diploceline
- IUPAC
- methyl 2-[(3E)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxypropanoate
Names & synonyms
Diploceline69306-89-4RefChem:920428CHEMBL2262646NSC325312NSC-325312Corynanium,20-didehydro-16-(hydroxymethyl)-17-methoxy-4-methyl-17-oxo-, (4.alpha.,19E)- (VA
Database identifiers
- CAS
69306-89-4- PubChem CID
- 54599294
- ChEMBL
CHEMBL2262646
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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