Basic information
- CAS
139220-06-7- Standard SMILES
COc1ccc2c(c1O)C(=O)N1CCc3cc4c(cc3[C@@H]1C2)OCO4- InChIKey
XUOSVBINVLAZQP-ZDUSSCGKSA-N- Molecular formula
- C19H17NO5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.11067264
Overview
Gusanlung A has been reported in Arcangelisia gusanlung with data available.
Names & identifiers
- Preferred name
- Gusanlung A
- IUPAC
- (1S)-16-hydroxy-17-methoxy-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 A
- Molecular formula
- C19H17NO5
- Molecular weight
- 339.34198
Names & synonyms
Gusanlung A139220-06-7(1S)-16-hydroxy-17-methoxy-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-hydroxy-10-methoxy-, (S)-(1S)-16-hydroxy-17-methoxy-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:144793SCHEMBL29769254DTXSID40930397(13aS)-9-Hydroxy-10-methoxy-5,6,13,13a-tetrahydro-2H,8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one9-Hydroxy-10-methoxy-5,6,13,13a-tetrahydro-2H,8H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-8-one
Database identifiers
- CAS
139220-06-7- PubChem CID
- 71450
- DTXSID
DTXSID40930397- Nikkaji
- J468.949F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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