ChemSpider 2D Image | (8R,10S,13S,15R)-1,6-dihydroxy-2,5,8,10,13,15-hexamethyl-8,10,11,12,13,15-hexahydro-7H,16H-phenanthro[10,1-fg:9,8-f'g']diisochromene-7,16-dione | C32H30O6

(8R,10S,13S,15R)-1,6-dihydroxy-2,5,8,10,13,15-hexamethyl-8,10,11,12,13,15-hexahydro-7H,16H-phenanthro[10,1-fg:9,8-f'g']diisochromene-7,16-dione

  • Molecular FormulaC32H30O6
  • Average mass510.577 Da
  • Monoisotopic mass510.204254 Da
  • ChemSpider ID17272943

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(8R,10S,13S,15R)-1,6-Dihydroxy-2,5,8,10,13,15-hexamethyl-8,10,11,12,13,15-hexahydro-7H,16H-benzo[5,10]pyrano[3',4':7,8]anthra[9,1-fg]isochromen-7,16-dion [German] [ACD/IUPAC Name]
(8R,10S,13S,15R)-1,6-Dihydroxy-2,5,8,10,13,15-hexamethyl-8,10,11,12,13,15-hexahydro-7H,16H-benzo[5,10]pyrano[3',4':7,8]anthra[9,1-fg]isochromene-7,16-dione [ACD/IUPAC Name]
(8R,10S,13S,15R)-1,6-Dihydroxy-2,5,8,10,13,15-hexaméthyl-8,10,11,12,13,15-hexahydro-7H,16H-benzo[5,10]pyrano[3',4':7,8]anthra[9,1-fg]isochromène-7,16-dione [French] [ACD/IUPAC Name]
(8R,10S,13S,15R)-1,6-dihydroxy-2,5,8,10,13,15-hexamethyl-8,10,11,12,13,15-hexahydro-7H,16H-phenanthro[10,1-fg:9,8-f'g']diisochromene-7,16-dione
7H,16H-Peryleno[11,12-c:2,1-c']dipyran-7,16-dione, 8,10,11,12,13,15-hexahydro-1,6-dihydroxy-2,5,8,10,13,15-hexamethyl-, (8R,10S,13S,15R)- [ACD/Index Name]
(5S,7R,22R,24S)-11,18-dihydroxy-5,7,12,17,22,24-hexamethyl-6,23-dioxaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),10,12,14(28),15,17,19(27),21(26)-nonaene-9,20-dione
925462-24-4 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL441712/
scutiaquinone A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 787.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.6±3.0 kJ/mol
Flash Point: 262.9±26.4 °C
Index of Refraction: 1.722
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 7.71
ACD/BCF (pH 5.5): 422980.06
ACD/KOC (pH 5.5): 370224.56
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 330951.56
ACD/KOC (pH 7.4): 289674.16
Polar Surface Area: 93 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

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