Basic information
- CAS
95673-99-7- Standard SMILES
CC(=O)OCC12C(C=C(C)C(O)C1O)OC1C(OC(C)=O)CC2(C)C12CO2- InChIKey
JSKXQQKSUOVSKS-UHFFFAOYSA-N- Molecular formula
- C19H26O8
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.16276778
Overview
7alpha,8alpha-Dihydroxycalonectrin is a trichothecene.
Names & identifiers
- Preferred name
- 7,8-Dihydroxycalonectrin
- IUPAC
- (10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Names & synonyms
7,8-Dihydroxy calonectrin7,8-Dihydroxycalonectrin7alpha,8alpha-Dihydroxycalonectrin7a,8a-DihydroxycalonectrinCHEBI:169114JSKXQQKSUOVSKS-UHFFFAOYSA-NNS00094900Q42403325(10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate
Database identifiers
- CAS
95673-99-7- PubChem CID
- 557474
- ChEBI
CHEBI:169114
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 718
Experimental & physicochemical properties
Melting Point190 - 192 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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