ChemSpider 2D Image | artonin B | C30H30O7

artonin B

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID10138595

More details:

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

1,3,4,8-Tetrahydroxy-5-isopropenyl-11,11-dimethyl-13-(3-methyl-2-buten-1-yl)-5,6-dihydro-7H,11H-benzo[h]pyrano[3,2-b]xanthen-7-on [German] [ACD/IUPAC Name]
1,3,4,8-Tetrahydroxy-5-isopropenyl-11,11-dimethyl-13-(3-methyl-2-buten-1-yl)-5,6-dihydro-7H,11H-benzo[h]pyrano[3,2-b]xanthen-7-one [ACD/IUPAC Name]
1,3,4,8-Tétrahydroxy-5-isopropényl-11,11-diméthyl-13-(3-méthyl-2-butén-1-yl)-5,6-dihydro-7H,11H-benzo[h]pyrano[3,2-b]xanthén-7-one [French] [ACD/IUPAC Name]
124693-70-5 [RN]
136657-54-0 [RN]
7H,11H-Benzo[h]pyrano[3,2-b]xanthen-7-one, 5,6-dihydro-1,3,4,8-tetrahydroxy-11,11-dimethyl-13-(3-methyl-2-buten-1-yl)-5-(1-methylethenyl)- [ACD/Index Name]
artonin B
1,3,4,8-tetrahydroxy-11,11-dimethyl-13-(3-methylbut-2-en-1-yl)-5-(prop-1-en-2-yl)-5,6-dihydro-7H,11H-benzo[h]pyrano[3,2-b]xanthen-7-one
5,7,8,15-tetrahydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-2,20-dioxapentacyclo[12.8.0.0??,????.0?,?.0???,????]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
5,7,8,15-tetrahydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-10-(prop-1-en-2-yl)-2,20-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(22),3(12),4(9),5,7,14,16(21),17-octaen-13-one
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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: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 242.5±26.4 °C
Index of Refraction: 1.696
Molar Refractivity: 136.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 100507.77
ACD/KOC (pH 5.5): 130490.57
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 19548.52
ACD/KOC (pH 7.4): 25380.10
Polar Surface Area: 116 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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