ChemSpider 2D Image | CHAETOXANTHONE A | C20H18O7

CHAETOXANTHONE A

  • Molecular FormulaC20H18O7
  • Average mass370.353 Da
  • Monoisotopic mass370.105255 Da
  • ChemSpider ID24711218
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,17S,19R)-3,19-Dihydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-on [German] [ACD/IUPAC Name]
(1S,17S,19R)-3,19-Dihydroxy-7-methoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one [ACD/IUPAC Name]
(1S,17S,19R)-3,19-Dihydroxy-7-méthoxy-17-méthyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]hénicosa-2(15),3,6,8,10,13-hexaén-5-one [French] [ACD/IUPAC Name]
(2S,4R,6S)-3,4,5,6-Tetrahydro-4,7-dihydroxy-9-methoxy-2-methyl-2,6-epoxy-2H,8H-oxocino[3,2-b]xanthen-8-one
1052639-24-3 [RN]
2,6-Epoxy-2H,8H-oxocino[3,2-b]xanthen-8-one, 3,4,5,6-tetrahydro-4,7-dihydroxy-9-methoxy-2-methyl-, (2S,4R,6S)- [ACD/Index Name]
CHAETOXANTHONE A
(2S,4R,6S)-4,7-dihydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65611
  • Miscellaneous
    • Chemical Class:

      A bridged organic heteropentacyclic compund that is 3,4,5,6-tetrahydro-2<element>H</element>,8<element>H</element>-2,6-epoxyoxocino[3,2-<ital>b</ital>]xanthen-8-one substituted by hydroxy groups at po sitions 4 and 7, a methoxy group at position 9 and a methyl group at position 2 (the 2<stereo>S</stereo>,4<stereo>R</stereo>,6<stereo>S</stereo> stereoisomer). It is isolated from the marine derived fungus <ital>Chaetomium</ital> and has antiprotozoal activity. ChEBI CHEBI:65611
      A bridged organic heteropentacyclic compund that is 3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one substituted by hydroxy groups at po; sitions 4 and 7, a methoxy group at position 9 an d a methyl group at position 2 (the 2S,4R,6S stereoisomer). It is isolated from the marine derived ; fungus Chaetomium and has antiprotozoal activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65611

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 211.3±23.6 °C
Index of Refraction: 1.663
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 56.25
ACD/KOC (pH 5.5): 602.18
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 5.80
ACD/KOC (pH 7.4): 62.15
Polar Surface Area: 94 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

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