(-)-Isoboldine
Basic information
- CAS
104597-61-7- Standard SMILES
COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CCN1C- InChIKey
LINHZVMHXABQLB-CYBMUJFWSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Overview
(-)-Isoboldine has been reported in Neolitsea acuminatissima, Licaria triandra, and Cryptocarya chinensis with data available.
Names & identifiers
- Preferred name
- (-)-Isoboldine
- IUPAC
- (6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol
Names & synonyms
(-)-IsoboldineIsoboldine, (-)-F7NJ47RFV4104597-61-74H-Dibenzo(de,g)quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (R)-(6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1,9-diol(6aR)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diolRefChem:196356UNII-F7NJ47RFV4
Database identifiers
- CAS
104597-61-7- PubChem CID
- 6971182
- UNII
- F7NJ47RFV4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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