Wilfornine
Basic information
- CAS
112899-84-0- Standard SMILES
CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(OC(C)=O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(=O)c1ccccn1)C2OC(C)=O)C4(C)O- InChIKey
QPVNFZWUTRCXMM-UHFFFAOYSA-N- Molecular formula
- C42H48N2O18
- Average molar mass
- 868.8 g/mol
- Monoisotopic mass
- 868.29021269
Overview
Wilfornine has been reported in Tripterygium wilfordii and Tripterygium hypoglaucum with data available.
Names & identifiers
- Preferred name
- Wilfornine
- IUPAC
- [20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] pyridine-2-carboxylate
Names & synonyms
Wilfornine112899-84-0SCHEMBL29725334
Database identifiers
- CAS
112899-84-0- PubChem CID
- 188698
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 14
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,810
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…