Found 1 result

Search term: BJBFRXDNHVXGCR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,3S,9R,11S)-8,15-dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-7H,16H-anthra[10,4-fg:9,8-f'g']diisochromene-7,16-dione | C32H30O6

(1R,3S,9R,11S)-8,15-dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-7H,16H-anthra[10,4-fg:9,8-f'g']diisochromene-7,16-dione

  • Molecular FormulaC32H30O6
  • Average mass510.577 Da
  • Monoisotopic mass510.204254 Da
  • ChemSpider ID23280558

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3S,9R,11S)-8,15-dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-7H,16H-anthra[10,4-fg:9,8-f'g']diisochromene-7,16-dione
(1R,3S,9R,11S)-8,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-7H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromen-7,16-dion [German] [ACD/IUPAC Name]
(1R,3S,9R,11S)-8,15-Dihydroxy-1,3,6,9,11,14-hexamethyl-1,3,4,9,11,12-hexahydro-7H,16H-isochromeno[7',6',5':5,10]anthra[9,1-fg]isochromene-7,16-dione [ACD/IUPAC Name]
(1R,3S,9R,11S)-8,15-Dihydroxy-1,3,6,9,11,14-hexaméthyl-1,3,4,9,11,12-hexahydro-7H,16H-isochroméno[7',6',5':5,10]anthra[9,1-fg]isochromène-7,16-dione [French] [ACD/IUPAC Name]
7H,16H-Peryleno[11,12-c:5,6-c']dipyran-7,16-dione, 1,3,4,9,11,12-hexahydro-8,15-dihydroxy-1,3,6,9,11,14-hexamethyl-, (1R,3S,9R,11S)- [ACD/Index Name]
(5S,7R,18S,20R)-11,22-dihydroxy-5,7,12,18,20,25-hexamethyl-6,19-dioxaheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1,3(8),10(28),11,13,15(27),16(21),22,25-nonaene-9,24-dione
925462-26-6 [RN]
scutiaquinone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 246.7±26.4 °C
Index of Refraction: 1.725
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 345775.34
ACD/KOC (pH 5.5): 320428.13
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 259197.88
ACD/KOC (pH 7.4): 240197.25
Polar Surface Area: 93 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 359.9±5.0 cm3

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