17-Hydroxy-16,17-dihydrosterigmatocystin
Basic information
- CAS
109278-36-6- Standard SMILES
COc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1CC(O)OC1O2- InChIKey
WRUJLZVXYZPNCL-UHFFFAOYSA-N- Molecular formula
- C18H14O7
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.07395278
Overview
Hydroxydihydrosterigmatocystin is a member of sterigmatocystins.
Names & identifiers
- Preferred name
- 17-Hydroxy-16,17-dihydrosterigmatocystin
- IUPAC
- 5,15-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one
- English name
- 17-hydroxy-16,17-dihydrosterigmatocystin
- Molecular formula
- C18H14O7
- Molecular weight
- 342.3
Names & synonyms
Hydroxydihydrosterigmatocystin17-Dhst109278-36-617-Hydroxy-16,17-dihydrosterigmatocystin5,15-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one5,15-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo(10.8.0.02,9.03,7.014,19)icosa-1,9,11,14,16,18-hexaen-13-oneRefChem:90824063324-97-07H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-2,8-dihydroxy-6-methoxy-Sterigmatocystin hemiacetalDTXSID90911070CHEBI:185409
Show more names
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 1,2,3a,12c-tetrahydro-2,8-dihydroxy-6-methoxy-, (2R,3aS,12cS)-
1,2,3a,12c-Tetrahydro-2,8-dihydroxy-6-methoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one (2R-(2alpha,3abeta,12cbeta))-2,8-Dihydroxy-6-methoxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-2,8-dihydroxy-6-methoxy-, (2R-(2alpha,3abeta,12cbeta))-
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 616 · 616.0±55.0 °C(Predicted)
- Density
- 1.566 · 1.566±0.06 g/cm3(Predicted)
- pka
- 6.91 · 6.91±0.40(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Hydroxydihydrosterigmatocystin is a member of sterigmatocystins.
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