Basic information
- Standard SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C(=O)C=C(C)[C@@H]2COc2ccc3ccc(=O)oc3c2)C1(C)C- InChIKey
TXEAVXYHQMQTHQ-SKIBMGEXSA-N- Molecular formula
- C26H30O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20423867
Names & identifiers
- Preferred name
- Ferocaulicin
- IUPAC
- [(2R,4aR,5S,8aS)-1,1,4a,6-tetramethyl-8-oxo-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] acetate
Names & synonyms
FerocaulicinDTXSID401359977STL564363AKOS037623055(2R,4aR,5S,8aS)-1,1,4a,6-tetramethyl-8-oxo-5-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl acetate
Database identifiers
- PubChem CID
- 124356232
- DTXSID
DTXSID401359977
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 854
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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