Basic information
- CAS
4682-63-7- Standard SMILES
C[C@@H]1CC[C@@]2(C)[C@@H](C1)OC1C[C@@H](O)[C@@]2(C)C12CO2- InChIKey
IXUQSLJHJJOFOV-DMAIBOTGSA-N- Molecular formula
- C15H24O3
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.17254462
Names & identifiers
- Preferred name
- 9,10-Dihydrotrichodermol
- IUPAC
- (1S,2R,5R,7R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodecane-12,2'-oxirane]-11-ol
Names & synonyms
9,10-Dihydrotrichodermol4682-63-7Trichothecan-4-ol, 12,13-epoxy-, (4beta)-12,13-Epoxytrichothecan-4-olDTXSID30963674(12xi)-9beta-12,13-Epoxytrichothecan-4beta-ol
Database identifiers
- CAS
4682-63-7- PubChem CID
- 6452064
- DTXSID
DTXSID30963674
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…