Basic information
- CAS
79082-05-6- Standard SMILES
COc1ccc2c(c1OC)C(=O)N1CCc3cc4c(cc3[C@@H]1C2)OCO4- InChIKey
DESORMZUMYIKSG-AWEZNQCLSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.12632271
Overview
Gusanlung B has been reported in Arcangelisia gusanlung, Coscinium fenestratum, and Pericampylus glaucus with data available.
Names & identifiers
- Preferred name
- Gusanlung B
- IUPAC
- (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one
- English name
- gusanlung B
- Molecular formula
- C20H19NO5
- Molecular weight
- 353.36856
Names & synonyms
Gusanlung B79082-05-6(1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-14-one8H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizin-8-one, 5,6,13,13a-tetrahydro-9,10-dimethoxy-, (S)-(1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-2,4(8),9,15(20),16,18-hexaen-14-oneRefChem:922605CHEMBL468974SCHEMBL29769242DTXSID801000251(13aS)-9,10-Dimethoxy-5,6,13,13a-tetrahydro-2H,8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one9,10-Dimethoxy-5,6,13,13a-tetrahydro-2H,8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one
Database identifiers
- CAS
79082-05-6- PubChem CID
- 133161
- DTXSID
DTXSID801000251- ChEMBL
CHEMBL468974- Nikkaji
- J468.950J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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