ChemSpider 2D Image | phomalevone C | C30H24O10

phomalevone C

  • Molecular FormulaC30H24O10
  • Average mass544.506 Da
  • Monoisotopic mass544.136963 Da
  • ChemSpider ID26346248

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5'S,10aR,10a'R)-1,1',5',8,8'-Pentahydroxy-3,3',10a,10a'-tetramethyl-5',10a'-dihydro-9H,9'H-2,2'-bixanthen-5,9,9'(10aH)-trion [German] [ACD/IUPAC Name]
(5'S,10aR,10a'R)-1,1',5',8,8'-Pentahydroxy-3,3',10a,10a'-tetramethyl-5',10a'-dihydro-9H,9'H-2,2'-bixanthene-5,9,9'(10aH)-trione [ACD/IUPAC Name]
(5'S,10aR,10a'R)-1,1',5',8,8'-Pentahydroxy-3,3',10a,10a'-tétraméthyl-5',10a'-dihydro-9H,9'H-2,2'-bixanthène-5,9,9'(10aH)-trione [French] [ACD/IUPAC Name]
[2,2'-Bi-9H-xanthene]-5,9,9'(10aH)-trione, 5',10'a-dihydro-1,1',5',8,8'-pentahydroxy-3,3',10a,10'a-tetramethyl-, (5'S,10aR,10a'R)- [ACD/Index Name]
phomalevone C
  • Miscellaneous

    • Chemical Class:

      A biaryl that is 5',10a'-dihydro-9<element>H</element>,9'<element>H</element>-2,2'-bixanthene-5,9,9'(10a<element>H</element>)-trione substituted by hydroxy groups at positions 1, 1', 5', 8 and 8' and methyl groups at positions 3, 3', 10a and 10a'. Isolated from the cultures of a Hawaiian isolate of the fungus <ital>Phoma</ital> species, it exhibits antibacterial and antifungal activities. ChEBI CHEBI:68299
      A biaryl that is 5',10a'-dihydro-9H,9'H-2,2'-bixanthene-5,9,9'(10aH)-trione substituted by hydroxy groups at positions 1, 1', 5', 8 and 8' and methyl groups at positions 3, 3', 10a and 10a'. Isolated from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. ChEBI CHEBI:68299
      A biaryl that is 5',10a'-dihydro-9H,9'H-2,2'-bixanthene-5,9,9'(10aH)-trione substituted by hydroxy groups at positions 1, 1', 5', 8 and 8' and; methyl groups at positions 3, 3', 10a and 10a'. Isolat ed from the cultures of a Hawaiian isolate of the fungus Phoma species, it exhibits antibacterial and antifungal activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68299

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 825.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 276.6±27.8 °C
Index of Refraction: 1.778
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 6.20
ACD/KOC (pH 5.5): 42.61
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 100.0±5.0 dyne/cm
Molar Volume: 326.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement