ChemSpider 2D Image | longirostrerone B | C31H42O6

longirostrerone B

  • Molecular FormulaC31H42O6
  • Average mass510.662 Da
  • Monoisotopic mass510.298126 Da
  • ChemSpider ID28487826

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(7R,8S)-7-Hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3E,5E)-5,7,9-trimethyl-2-oxo-3,5-undecadien-1-yl]-7,8-dihydro-6H-isochromen-6-on [German] [ACD/IUPAC Name]
(7R,8S)-7-Hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3E,5E)-5,7,9-trimethyl-2-oxo-3,5-undecadien-1-yl]-7,8-dihydro-6H-isochromen-6-one [ACD/IUPAC Name]
(7R,8S)-7-Hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-méthyl-6-oxocyclohexyl]-7-méthyl-8-[(3E,5E)-5,7,9-triméthyl-2-oxo-3,5-undécadién-1-yl]-7,8-dihydro-6H-isochromén-6-one [French] [ACD/IUPAC Name]
6H-2-Benzopyran-6-one, 7,8-dihydro-7-hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3E,5E)-5,7,9-trimethyl-2-oxo-3,5-undecadien-1-yl]-, (7R,8S)- [ACD/Index Name]
longirostrerone B
(7R,8S)-7-hydroxy-3-[(1S,2S,4R)-4-hydroxy-2-methyl-6-oxocyclohexyl]-7-methyl-8-[(3E,5E)-5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl]-7,8-dihydro-6H-isochromen-6-one
7-hydroxy-3-(4-hydroxy-6-methyl-2-oxocyclohexyl)-8-(5,7,9-trimethylundeca-3,5-dienoyl)-(7R)-7-methyl-8-hydro-7H-furo-[2,3-h]isochromene-6,18-dione
  • Miscellaneous

    • Chemical Class:

      An azaphilone that is 7,8-dihydro-6<element>H</element>-isochromen-6-one substituted by a hydroxy group at position 7, a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at posi tion 7 and a 5,7,9-trimethyl-2-oxoundeca-3,5-dien-1-yl group at position 8. Isolated from <ital>Chaetomium longirostre</ital>, it exhibits cytotoxic and antimalarial activities. ChEBI CHEBI:68981
      An azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a hydroxy group at position 7, a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at posi; tion 7 and a 5,7, 9-trimethyl-2-oxoundeca-3,5-dien-1-yl group at position 8. Isolated from Chaetomium longirostre, it exhibits cytotoxic and antimalarial activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68981
      An azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a hydroxy group at position 7, a 4-hydroxy-2-methyl-6-oxocyclohexyl group at position 3, a methyl group at position 7 and a 5,7,9- trimethyl-2-oxoundeca-3,5-dien-1-yl group at position 8. Isolated from Chaetomium longirostre, it exhibits cytotoxic and antimalarial activities. ChEBI CHEBI:68981

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.1±6.0 kJ/mol
Flash Point: 225.6±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.13
ACD/KOC (pH 5.5): 1293.34
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.13
ACD/KOC (pH 7.4): 1293.29
Polar Surface Area: 101 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

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