Product Name

  • Name

    DHST

  • EINECS
  • CAS No. 6795-16-0
  • Article Data3
  • CAS DataBase
  • Density 1.473g/cm3
  • Solubility
  • Melting Point >300 °C
  • Formula C18H14O6
  • Boiling Point 562°Cat760mmHg
  • Molecular Weight 326.32
  • Flash Point 211.7°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6795-16-0 (DHST)
  • Hazard Symbols
  • Synonyms Dihydro-sterigmatocystin;CPD-4587;Dihydrosterigmatocystin;
  • PSA 78.13000
  • LogP 2.88280

5-Hydroxydihydrosterigmatocystin Chemical Properties

Molecule structure of 5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0):

Molecular Weight: 326.30016 g/mol
Molecular Formula: C18H14O6 
Density: 1.473 g/cm3 
Boiling Point: 561.987 °C at 760 mmHg 
Flash Point: 211.715 °C
Index of Refraction: 1.664
Molar Refractivity: 82.14 cm3
Molar Volume: 221.457 cm3
Polarizability: 32.563×10-24 cm3
Surface Tension: 60.691 dyne/cm 
Enthalpy of Vaporization: 87.643 kJ/mol
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 1
Tautomer Count: 5
Exact Mass: 326.079038
MonoIsotopic Mass: 326.079038
Topological Polar Surface Area: 74.2
Heavy Atom Count: 24
Complexity: 524 
Canonical SMILES: COC1=C2C(=C3C4CCOC4OC3=C1)OC5=C(C2=O)C(=CC=C5)O
InChI: InChI=1S/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3
InChIKey: RHGQIWVTIHZRLI-UHFFFAOYSA-N
Classification Code of 5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0): Mutation data

5-Hydroxydihydrosterigmatocystin Toxicity Data With Reference

1.    

dns-rat-lvr 10 µmol/L

    MUREAV    Mutation Research. 173 (1986),217.
2.    

dni-mky-kdy 2 mg/L

    JNCIAM    Journal of the National Cancer Institute. 48 (1972),1647.
3.    

uns-mky-kdy 2 mg/L

    JNCIAM    Journal of the National Cancer Institute. 48 (1972),1647.

5-Hydroxydihydrosterigmatocystin Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

5-Hydroxydihydrosterigmatocystin Specification

 5-Hydroxydihydrosterigmatocystin (CAS NO.6795-16-0) is also named as 8-Hydroxy-6-methoxy-1,2,3aR,12cS-tetrahydro-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one ; CCRIS 3210 ; Dihydrosterigmatocystin ; 7H-Furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-8-hydroxy-6-methoxy-, (3aR,12cS)- .

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