ChemSpider 2D Image | artonin A | C30H30O7

artonin A

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID10211393

More details:

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

1,3,8-Trihydroxy-5,5,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-5a,6-dihydro-5H,7H,11H-[1]benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-on [German] [ACD/IUPAC Name]
1,3,8-Trihydroxy-5,5,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-5a,6-dihydro-5H,7H,11H-[1]benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one [ACD/IUPAC Name]
1,3,8-Trihydroxy-5,5,11,11-tétraméthyl-13-(3-méthyl-2-butén-1-yl)-5a,6-dihydro-5H,7H,11H-[1]benzofuro[3,4-bc]pyrano[2,3-i]xanthén-7-one [French] [ACD/IUPAC Name]
124721-15-9 [RN]
5H,7H,11H-Benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one, 5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
artonin A
1,3,8-trihydroxy-5,5,11,11-tetramethyl-13-(3-methylbut-2-en-1-yl)-5a,6-dihydro-5H,7H,11H-[1]benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one
12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,19-trioxahexacyclo[15.6.1.0??,???.0?,????.0?,????.0???,???]tetracosa-1(24),2(15),4,6(11),9,12,20,22-octaen-14-one
12,21,23-trihydroxy-8,8,18,18-tetramethyl-5-(3-methylbut-2-en-1-yl)-3,7,19-trioxahexacyclo[15.6.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1(24),2(15),4,6(11),9,12,20,22-octaen-14-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516550/

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 246.0±26.4 °C
Index of Refraction: 1.699
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 96330.37
ACD/KOC (pH 5.5): 126781.66
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 20479.93
ACD/KOC (pH 7.4): 26953.90
Polar Surface Area: 105 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 351.2±5.0 cm3

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