Basic information
- CAS
51151-82-7- Standard SMILES
CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H]1c1cc3c(cc1C[C@@H]2O)OCO3- InChIKey
IQUGPRHKZNCHGC-JBACZVJFSA-N- Molecular formula
- C21H21NO5
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.14197277
Overview
Chelidonine, 13-methyl-, (14beta)- has been reported in Corydalis taliensis and Corydalis bulleyana with data available.
Names & identifiers
- Preferred name
- Chelidonine, 13-methyl-, (14beta)-
- IUPAC
- (1S,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
- English name
- (+)-14-Epicorynoline
- Molecular formula
- C21H21NO5
- Molecular weight
- 367.4
Names & synonyms
Chelidonine, 13-methyl-, (14beta)-51151-82-7DTXSID90199174(1S,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol(1S,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-olRefChem:125106DTXCID20121665Isocorynoline(+)-14-Epicorynoline13-Methyl-14beta-chelidonine13-Methylchelidonine(14β)-11β-Hydroxy-13-methylchelidonane
Show more names
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bS)-
Database identifiers
- CAS
51151-82-7- PubChem CID
- 56842002
- DTXSID
DTXSID90199174- Nikkaji
- J13.809F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Boiling point
- 504.201 · 504.201±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.136 · 14.136±0.40(predicted)
Chemistry & industry
Applications
DescriptionThe empirical formula for this alkaloid should read C21H21NO5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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