Basic information
- CAS
18797-85-8- Standard SMILES
COc1ccc2c(c1O)N(C(C)=O)C1C3C(O)OCC=C4CN5CCC21C5CC43- InChIKey
BCKDRLNZTWKJHT-UHFFFAOYSA-N- Molecular formula
- C22H26N2O5
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.18417193
Overview
NSC277460 has been reported in Strychnos spinosa and Strychnos pungens with data available.
Names & identifiers
- Preferred name
- Henningsoline
- IUPAC
- 1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl)ethanone
Names & synonyms
HENNINGSOLINE18797-85-81-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5(10),6,8,17-tetraen-11-yl)ethanone1-(9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo(16.3.1.04,12.04,21.05,10.013,19)docosa-5(10),6,8,17-tetraen-11-yl)ethanoneRefChem:347101NSC277460SCHEMBL29606401DTXSID90313792NSC-2774601-(12,17-Dihydroxy-11-methoxy-19,20-didehydro-17,18-epoxycuran-1-yl)ethan-1-one
Database identifiers
- CAS
18797-85-8- PubChem CID
- 321985
- DTXSID
DTXSID90313792
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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