[(3S,4aR,5S,6R,6aR,10R,10bR)-5,10-dibenzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
Basic information
- Standard SMILES
CC1=CC[C@@H](OC(=O)c2ccccc2)C2[C@@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1ccccc1)[C@]1(C)O[C@]3(CC[C@]21C)COC(=O)C3- InChIKey
GREIZWACRDERNJ-ZBRFPRCESA-N- Molecular formula
- C40H41NO9
- Average molar mass
- 679.8 g/mol
- Monoisotopic mass
- 679.27813189
Names & identifiers
- Preferred name
- [(3S,4aR,5S,6R,6aR,10R,10bR)-5,10-dibenzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
- IUPAC
- [(3S,4aR,5S,6R,6aR,10R,10bR)-5,10-dibenzoyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-6-yl] pyridine-3-carboxylate
Names & synonyms
CHEMBL3608466
Database identifiers
- ChEMBL
CHEMBL3608466
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,370
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…