3,7,8,15-Scirpenetetrol
Basic information
- CAS
128534-67-8- Standard SMILES
CC1=CC2OC3C(O)CC(C)(C34CO4)C2(CO)C(O)C1O- InChIKey
QNKGXSIDHDDDHD-UHFFFAOYSA-N- Molecular formula
- C15H22O6
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.14163842
Overview
3,7,8,15-Scirpenetetrol is a trichothecene.
Names & identifiers
- Preferred name
- 3,7,8,15-Scirpenetetrol
- IUPAC
- 2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10-triol
Names & synonyms
3,7,8,15-ScirpenetetrolCHEBI:17483912,13-Epoxy-9-trichothecene-3,7,8,15-tetrol2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,4,10-triol
Database identifiers
- CAS
128534-67-8- PubChem CID
- 14587765
- ChEBI
CHEBI:174839
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 520
Experimental & physicochemical properties
Melting Point185 - 187 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…