(+-)Thalictrifoline
Basic information
- CAS
79082-02-3- Standard SMILES
COc1cc2c(cc1OC)[C@H]1[C@H](C)c3ccc4c(c3CN1CC2)OCO4- InChIKey
JTZZGWPIBBTYNE-MPBGBICISA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Overview
(.+-.)Thalictrifoline has been reported in Corydalis cornuta and Corydalis saxicola with data available.
Names & identifiers
- Preferred name
- (+-)Thalictrifoline
- IUPAC
- (12R,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaene
Names & synonyms
(.+-.)Thalictrifoline79082-02-3DTXSID20319303(+-)Thalictrifoline(12R,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),9,14,16,18-hexaene(12R,13R)-16,17-dimethoxy-12-methyl-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaeneRefChem:67576DTXCID80270426NSC343652NSC-343652(6R,6aR)-8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinoline
Database identifiers
- CAS
79082-02-3- PubChem CID
- 335206
- DTXSID
DTXSID20319303- Nikkaji
- J17.835G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
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Related reactions
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Compound notes
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