Basic information
- CAS
32204-37-8- Standard SMILES
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C[C@H](C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1- InChIKey
KNFOYTOYPICHGN-RAPHUMOGSA-N- Molecular formula
- C17H24O8
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.14711772
Names & identifiers
- Preferred name
- Dihydrofusarenon X
- IUPAC
- [(1S,2R,3S,5S,7R,9S,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-11-yl] acetate
Names & synonyms
32204-37-8Dihydrofusarenon X4-(Acetyloxy)-12,13-epoxy-3,7,15-trihydroxytrichothecan-8-one (3alpha,4beta,7alpha)-DTXSID00954054(3alpha,4beta,7alpha)-4-(Acetyloxy)-12,13-epoxy-3,7,15-trihydroxytrichothecan-8-oneTrichothecan-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3alpha,4beta,7alpha)-3,7,15-Trihydroxy-8-oxo-12,13-epoxytrichothecan-4-yl acetate3alpha,7alpha,15-Trihydroxy-8-oxo-2alpha,9beta-12,13-epoxytrichothecan-4beta-yl acetate
Database identifiers
- CAS
32204-37-8- PubChem CID
- 147407
- DTXSID
DTXSID00954054
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…