Basic information
- CAS
188112-82-5- Standard SMILES
CCCCCCCCCC1C[C@@H]2CC[C@H]3[C@@H](C(=O)OC(C)CCCCC[C@@H]4C[C@@H]5CC[C@H]6C[C@@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N23- InChIKey
OQQOMTYUIIYYMD-XWJPFPEWSA-N- Molecular formula
- C37H64N6O2
- Average molar mass
- 624.9 g/mol
- Monoisotopic mass
- 624.50907531
Overview
Batzelladine F has been reported in Monanchora arbuscula, Clathria calla, and Batzella with data available.
Names & identifiers
- Preferred name
- Batzelladine F
- IUPAC
- 7-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate
Names & synonyms
Batzelladine F188112-82-57-[(1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-en-6-yl]heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene-5-carboxylate7-((1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)heptan-2-yl (1S,4S,5S,6R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylateRefChem:1166687-((1R,4S,6R,10S)-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)heptan-2-yl (1S,4S,5S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylate7-((1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)heptan-2-yl (1S,4S,5S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylate7-((1S,4S,6R,10R)-10-methyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-en-6-yl)heptan-2-yl (1S,4S,6R,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo(6.3.1.04,12)dodec-7-ene-5-carboxylate6-((2aS,4R,7R,8aS)-7-Methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl)-1-methylhexyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate6-[(2aS,4R,7R,8aS)-7-Methyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylen-4-yl]-1-methylhexyl (2aS,3S,4R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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