(+)-Pennsylvanine
Basic information
- CAS
53466-31-2- Standard SMILES
COc1cc(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(C3)N(C)CC4)c(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O- InChIKey
UJDHNXMYMWDWQG-UHFFFAOYSA-N- Molecular formula
- C40H46N2O8
- Average molar mass
- 682.8 g/mol
- Monoisotopic mass
- 682.32541643
Overview
(+)-Pennsylvanine has been reported in Thalictrum dioicum with data available.
Names & identifiers
- Preferred name
- (+)-Pennsylvanine
- IUPAC
- 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
Names & synonyms
(+)-Pennsylvanine53466-31-2DTXSID503088065-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol5-((6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-methoxy-4-((1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-9-yl)oxy)phenolRefChem:67485DTXCID20259932NSC209760NSC-2097605-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxy-4-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]phenol
Database identifiers
- CAS
53466-31-2- PubChem CID
- 308336
- DTXSID
DTXSID50308806
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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