Basic information
- CAS
89212-86-2- Standard SMILES
CCCCCC(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3COC(CCC)CC3C[C@H]12- InChIKey
YPHXQIRDMAWHDB-FRUGGUHGSA-N- Molecular formula
- C21H32O5
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.22497412
Names & identifiers
- Preferred name
- Hexahydromonascin
- IUPAC
- (3S,3aR,9aR)-3-hexanoyl-9a-methyl-6-propyl-3,3a,4,4a,5,6,8,8a-octahydrofuro[3,2-g]isochromene-2,9-dione
Names & synonyms
HexahydromonascinMonascin, hexahydro-CKT5FD9511UNII-CKT5FD95112H-Furo(3,2-g)(2)benzopyran-2,9(3H)-dione, octahydro-9a-methyl-3-(1-oxohexyl)-6-propyl-3-Hexanoyl-9a-methyl-6-propyl-3,3a,4,4a,5,6,8,8a-octahydrofuro(3,2-g)isochromene-2,9-dione89212-86-2
Database identifiers
- CAS
89212-86-2- PubChem CID
- 124037372
- UNII
- CKT5FD9511
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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